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

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-1H-quinolin-2-one Openeye Name: 3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-1H-quinolin-2-one IUPAC Name: 3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one Traditional Name: 3-(4-tosyl-1,4-diazepane-1-carbonyl)carbostyril Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H23N3O4S/c1-16-7-9-18(10-8-16)30(28,29)25-12-4-11-24(13-14-25)22(27)19-15-17-5-2-3-6-20(17)23-21(19)26/h2-3,5-10,15H,4,11-14H2,1H3,(H,23,26)