N-[2-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]ethanamide

Systemtic Name: N-[2-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]ethanamide Openeye Name: N-[2-methyl-5-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide CAS Name: N-[2-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[2-methyl-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]acetamide Traditional Name: N-[2-methyl-5-(4-tosyl-1,4-diazepane-1-carbonyl)phenyl]acetamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-16-5-9-20(10-6-16)30(28,29)25-12-4-11-24(13-14-25)22(27)19-8-7-17(2)21(15-19)23-18(3)26/h5-10,15H,4,11-14H2,1-3H3,(H,23,26)