N-butyl-2-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-butyl-2-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]ethanamide Openeye Name: N-butyl-2-(3-methoxyphenyl)-2-[7-oxo-4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-butyl-2-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]acetamide IUPAC Name: N-butyl-2-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]acetamide Traditional Name: N-butyl-2-(7-keto-4-tosyl-1,4-diazepan-1-yl)-2-(3-methoxyphenyl)acetamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C1=CC(=CC=C1)OC)N2CCN(CCC2=O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)C(C1=CC(=CC=C1)OC)N2CCN(CCC2=O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H33N3O5S/c1-4-5-14-26-25(30)24(20-7-6-8-21(18-20)33-3)28-17-16-27(15-13-23(28)29)34(31,32)22-11-9-19(2)10-12-22/h6-12,18,24H,4-5,13-17H2,1-3H3,(H,26,30)