N-(2,3-dimethylphenyl)-4-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2,3-dimethylphenyl)-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(2,3-dimethylphenyl)-4-[oxo-[4-(2-phenoxyethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(2,3-dimethylphenyl)-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(2,3-dimethylphenyl)-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCOC4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O4S/c1-21-7-6-10-26(22(21)2)28-35(32,33)25-13-11-23(12-14-25)27(31)30-17-15-29(16-18-30)19-20-34-24-8-4-3-5-9-24/h3-14,28H,15-20H2,1-2H3