2-methyl-N-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]cyclopropane-1-carboxamide

Systemtic Name: 2-methyl-N-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]cyclopropane-1-carboxamide Openeye Name: 2-methyl-N-[3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phenyl]cyclopropanecarboxamide CAS Name: 2-methyl-N-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]-1-cyclopropanecarboxamide IUPAC Name: 2-methyl-N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]cyclopropane-1-carboxamide Traditional Name: 2-methyl-N-[3-(4-tosyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CC1C(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H29N3O4S/c1-17-7-9-21(10-8-17)32(30,31)27-12-4-11-26(13-14-27)24(29)19-5-3-6-20(16-19)25-23(28)22-15-18(22)2/h3,5-10,16,18,22H,4,11-15H2,1-2H3,(H,25,28)