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

Systemtic Name: N-[1-(4-methoxyphenyl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]ethanamide Openeye Name: N-[1-(4-methoxyphenyl)-3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]acetamide CAS Name: N-[1-(4-methoxyphenyl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]acetamide IUPAC Name: N-[1-(4-methoxyphenyl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]acetamide Traditional Name: N-[3-keto-1-(4-methoxyphenyl)-3-(4-tosyl-1,4-diazepan-1-yl)propyl]acetamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC(C3=CC=C(C=C3)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC(C3=CC=C(C=C3)OC)NC(=O)C

InChI

InChI=1S/C24H31N3O5S/c1-18-5-11-22(12-6-18)33(30,31)27-14-4-13-26(15-16-27)24(29)17-23(25-19(2)28)20-7-9-21(32-3)10-8-20/h5-12,23H,4,13-17H2,1-3H3,(H,25,28)