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

Systemtic Name: N-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[(4-tosyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H27N3O3S/c1-17-4-10-21(11-5-17)28(26,27)24-13-3-12-23(14-15-24)16-19-6-8-20(9-7-19)22-18(2)25/h4-11H,3,12-16H2,1-2H3,(H,22,25)