2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]ethyl N-(4-methylphenyl)carbamate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]ethyl N-(4-methylphenyl)carbamate Openeye Name: 2-[7-oxo-4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl N-(p-tolyl)carbamate CAS Name: N-(4-methylphenyl)carbamic acid 2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]ethyl ester IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]ethyl N-(4-methylphenyl)carbamate Traditional Name: N-(p-tolyl)carbamic acid 2-(7-keto-4-tosyl-1,4-diazepan-1-yl)ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)OCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)OCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N3O5S/c1-17-3-7-19(8-4-17)23-22(27)30-16-15-24-13-14-25(12-11-21(24)26)31(28,29)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3,(H,23,27)