3-(4-chlorophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(4-chlorophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(4-chlorophenyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(4-chlorophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(4-chlorophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(4-chlorophenyl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-17-3-10-20(11-4-17)28(26,27)24-14-2-13-23(15-16-24)21(25)12-7-18-5-8-19(22)9-6-18/h3-6,8-11H,2,7,12-16H2,1H3