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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]ethyl N-[(4-methoxyphenyl)methyl]carbamate Openeye Name: 2-[7-oxo-4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl N-[(4-methoxyphenyl)methyl]carbamate CAS Name: N-[(4-methoxyphenyl)methyl]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-methoxyphenyl)methyl]carbamate Traditional Name: N-p-anisylcarbamic acid 2-(7-keto-4-tosyl-1,4-diazepan-1-yl)ethyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29N3O6S/c1-18-3-9-21(10-4-18)33(29,30)26-12-11-22(27)25(13-14-26)15-16-32-23(28)24-17-19-5-7-20(31-2)8-6-19/h3-10H,11-17H2,1-2H3,(H,24,28)