2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]ethyl N-(3,5-dimethylphenyl)carbamate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]ethyl N-(3,5-dimethylphenyl)carbamate Openeye Name: 2-[7-oxo-4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl N-(3,5-dimethylphenyl)carbamate CAS Name: N-(3,5-dimethylphenyl)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-(3,5-dimethylphenyl)carbamate Traditional Name: N-(3,5-dimethylphenyl)carbamic acid 2-(7-keto-4-tosyl-1,4-diazepan-1-yl)ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H29N3O5S/c1-17-4-6-21(7-5-17)32(29,30)26-9-8-22(27)25(10-11-26)12-13-31-23(28)24-20-15-18(2)14-19(3)16-20/h4-7,14-16H,8-13H2,1-3H3,(H,24,28)