N-[(2S)-3-cyclohexa-1,5-dien-1-yl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]quinoline-6-carboxamide

Systemtic Name: N-[(2S)-3-cyclohexa-1,5-dien-1-yl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]quinoline-6-carboxamide Openeye Name: N-[(1S)-1-(cyclohexa-1,5-dien-1-ylmethyl)-2-oxo-2-[[(4S)-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]quinoline-6-carboxamide CAS Name: N-[(2S)-3-(1-cyclohexa-1,5-dienyl)-1-oxo-1-[[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]propan-2-yl]-6-quinolinecarboxamide IUPAC Name: N-[(2S)-3-cyclohexa-1,5-dien-1-yl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]quinoline-6-carboxamide Traditional Name: N-[(1S)-1-(cyclohexa-1,5-dien-1-ylmethyl)-2-keto-2-[[(4S)-3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]quinoline-6-carboxamide Formula: C30H31N5O5S MolecularWeight: 573.66264

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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=CCCC=C3)NC(=O)C4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

C1C[C@@H](C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)[C@H](CC3=CCCC=C3)NC(=O)C4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C30H31N5O5S/c36-27-20-35(41(39,40)28-12-4-5-15-32-28)17-7-11-25(27)33-30(38)26(18-21-8-2-1-3-9-21)34-29(37)23-13-14-24-22(19-23)10-6-16-31-24/h2,4-6,8-10,12-16,19,25-26H,1,3,7,11,17-18,20H2,(H,33,38)(H,34,37)/t25-,26-/m0/s1