2-[(4S)-4-azanyl-5-[4-[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]-2-methyl-propanoyl]piperazin-1-yl]-5-oxidanylidene-pentyl]guanidine

Systemtic Name: 2-[(4S)-4-azanyl-5-[4-[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]-2-methyl-propanoyl]piperazin-1-yl]-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[(4S)-4-amino-5-[4-[2-[[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]-2-methyl-propanoyl]piperazin-1-yl]-5-oxo-pentyl]guanidine CAS Name: 2-[(4S)-4-amino-5-[4-[2-[[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonylamino]-2-methyl-1-oxopropyl]-1-piperazinyl]-5-oxopentyl]guanidine IUPAC Name: 2-[(4S)-4-amino-5-[4-[2-[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]-2-methylpropanoyl]piperazin-1-yl]-5-oxopentyl]guanidine Traditional Name: 2-[(4S)-4-amino-5-[4-[2-[[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]-2-methyl-propanoyl]piperazino]-5-keto-pentyl]guanidine Formula: C31H40Cl2N8O5S MolecularWeight: 707.6709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC(C)(C)C(=O)N4CCN(CC4)C(=O)C(CCCN=C(N)N)N)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC(C)(C)C(=O)N4CCN(CC4)C(=O)[C@H](CCCN=C(N)N)N)Cl)C=C1

InChI

InChI=1S/C31H40Cl2N8O5S/c1-19-9-10-20-6-4-8-24(27(20)38-19)46-18-21-22(32)11-12-25(26(21)33)47(44,45)39-31(2,3)29(43)41-16-14-40(15-17-41)28(42)23(34)7-5-13-37-30(35)36/h4,6,8-12,23,39H,5,7,13-18,34H2,1-3H3,(H4,35,36,37)/t23-/m0/s1