2,2-dimethyl-N-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]propanamide Openeye Name: 2,2-dimethyl-N-[3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phenyl]propanamide CAS Name: 2,2-dimethyl-N-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]propanamide Traditional Name: 2,2-dimethyl-N-[3-(4-tosyl-1,4-diazepane-1-carbonyl)phenyl]propionamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-18-9-11-21(12-10-18)32(30,31)27-14-6-13-26(15-16-27)22(28)19-7-5-8-20(17-19)25-23(29)24(2,3)4/h5,7-12,17H,6,13-16H2,1-4H3,(H,25,29)