3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-4-methyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-4-methyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methyl-benzenesulfonamide CAS Name: 3-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-4-methyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylbenzenesulfonamide Traditional Name: N-benzyl-3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methyl-benzenesulfonamide Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O5S2/c1-20-9-10-22(3)26(17-20)37(34,35)30-15-13-29(14-16-30)27(31)25-18-24(12-11-21(25)2)36(32,33)28-19-23-7-5-4-6-8-23/h4-12,17-18,28H,13-16,19H2,1-3H3