N-(2,5-dimethylphenyl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]benzenesulfonamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethoxy]-N-(2,5-dimethylphenyl)benzenesulfonamide CAS Name: N-(2,5-dimethylphenyl)-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazino)-2-keto-ethoxy]-N-(2,5-dimethylphenyl)benzenesulfonamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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