6-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[[(2S)-2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-3,4-dihydrocarbostyril Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CCCCCN2S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4

InChI

InChI=1S/C22H26N2O4S/c1-28-18-9-6-16(7-10-18)21-5-3-2-4-14-24(21)29(26,27)19-11-12-20-17(15-19)8-13-22(25)23-20/h6-7,9-12,15,21H,2-5,8,13-14H2,1H3,(H,23,25)/t21-/m0/s1