N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azocan-4-yl)amino]pentan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azocan-4-yl)amino]pentan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azocan-4-yl]carbamoyl]butyl]quinoline-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azocanyl]amino]pentan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazocan-4-yl)amino]pentan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-(2-pyridylsulfonyl)azocan-4-yl]carbamoyl]-3-methyl-butyl]quinaldamide Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H33N5O5S/c1-19(2)17-24(32-27(35)23-14-13-20-9-3-4-10-21(20)30-23)28(36)31-22-11-6-8-16-33(18-25(22)34)39(37,38)26-12-5-7-15-29-26/h3-5,7,9-10,12-15,19,22,24H,6,8,11,16-18H2,1-2H3,(H,31,36)(H,32,35)/t22?,24-/m0/s1