N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]quinoline-8-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]quinoline-8-carboxamide Openeye Name: N-[(1S)-1-[[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]quinoline-8-carboxamide CAS Name: N-[(2S)-1-[[3-hydroxy-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-8-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]quinoline-8-carboxamide Traditional Name: N-[(1S)-1-[[3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]quinoline-8-carboxamide Formula: C27H33N5O5S MolecularWeight: 539.64642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C27H33N5O5S/c1-18(2)16-22(31-26(34)20-10-5-8-19-9-6-14-29-25(19)20)27(35)30-21-11-7-15-32(17-23(21)33)38(36,37)24-12-3-4-13-28-24/h3-6,8-10,12-14,18,21-23,33H,7,11,15-17H2,1-2H3,(H,30,35)(H,31,34)/t21?,22-,23?/m0/s1