[3-(dimethylamino)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: [3-(dimethylamino)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: [3-(dimethylamino)phenyl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [3-(dimethylamino)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: [3-(dimethylamino)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: [3-(dimethylamino)phenyl]-(4-tosyl-1,4-diazepan-1-yl)methanone 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)C(=O)C3=CC(=CC=C3)N(C)C

Isomeric SMILES

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

InChI

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