4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N-(2-methoxyphenyl)benzenesulfonamide

Systemtic Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N-(2-methoxyphenyl)benzenesulfonamide Openeye Name: 4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: 4-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: 4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: 4-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H26N4O4S/c1-34-25-5-3-2-4-24(25)28-35(32,33)23-12-10-22(11-13-23)26(31)30-16-14-29(15-17-30)19-21-8-6-20(18-27)7-9-21/h2-13,28H,14-17,19H2,1H3