N-[1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-3-phenyl-propan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-3-phenyl-propan-2-yl]quinoline-2-carboxamide Openeye Name: N-[1-benzyl-2-oxo-2-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]quinoline-2-carboxamide CAS Name: N-[1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-3-phenylpropan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-3-phenylpropan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-benzyl-2-keto-2-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]quinaldamide Formula: C30H29N5O5S MolecularWeight: 571.64676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H29N5O5S/c36-27-20-35(41(39,40)28-14-6-7-17-31-28)18-8-13-24(27)33-30(38)26(19-21-9-2-1-3-10-21)34-29(37)25-16-15-22-11-4-5-12-23(22)32-25/h1-7,9-12,14-17,24,26H,8,13,18-20H2,(H,33,38)(H,34,37)