6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-(4-tosyl-1,4-diazepane-1-carbonyl)-3,4-dihydrocarbostyril Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CC4

InChI

InChI=1S/C22H25N3O4S/c1-16-3-7-19(8-4-16)30(28,29)25-12-2-11-24(13-14-25)22(27)18-5-9-20-17(15-18)6-10-21(26)23-20/h3-5,7-9,15H,2,6,10-14H2,1H3,(H,23,26)