N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]-N-(phenylmethyl)methanesulfonamide

Systemtic Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]-N-(phenylmethyl)methanesulfonamide Openeye Name: N-benzyl-N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]-N-(phenylmethyl)methanesulfonamide IUPAC Name: N-benzyl-N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-benzyl-N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3N(CC4=CC=CC=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3N(CC4=CC=CC=C4)S(=O)(=O)C)C

InChI

InChI=1S/C27H31N3O3S/c1-21-10-9-15-25(22(21)2)28-16-18-29(19-17-28)27(31)24-13-7-8-14-26(24)30(34(3,32)33)20-23-11-5-4-6-12-23/h4-15H,16-20H2,1-3H3