1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]pyrrolidine-2-carboxamide Openeye Name: N-[2-(1-carbamimidoyl-4-piperidyl)ethyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[2-(1-carbamimidoyl-4-piperidinyl)ethyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[2-(1-amidino-4-piperidyl)ethyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide Formula: C30H36Cl2N6O4S MolecularWeight: 647.61564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCCC5CCN(CC5)C(=N)N)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCCC5CCN(CC5)C(=N)N)Cl)C=C1

InChI

InChI=1S/C30H36Cl2N6O4S/c1-19-7-8-21-4-2-6-25(28(21)36-19)42-18-22-23(31)9-10-26(27(22)32)43(40,41)38-15-3-5-24(38)29(39)35-14-11-20-12-16-37(17-13-20)30(33)34/h2,4,6-10,20,24H,3,5,11-18H2,1H3,(H3,33,34)(H,35,39)