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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]ethyl N-(3-chlorophenyl)carbamate Openeye Name: 2-[7-oxo-4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl N-(3-chlorophenyl)carbamate CAS Name: N-(3-chlorophenyl)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-chlorophenyl)carbamate Traditional Name: N-(3-chlorophenyl)carbamic acid 2-(7-keto-4-tosyl-1,4-diazepan-1-yl)ethyl ester Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O5S/c1-16-5-7-19(8-6-16)31(28,29)25-10-9-20(26)24(11-12-25)13-14-30-21(27)23-18-4-2-3-17(22)15-18/h2-8,15H,9-14H2,1H3,(H,23,27)