N-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: N-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N-[4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N-[4-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O5S/c1-33-23-12-13-25(34-2)21(18-23)19-28-14-16-29(17-15-28)26(30)20-8-10-22(11-9-20)27-35(31,32)24-6-4-3-5-7-24/h3-13,18,27H,14-17,19H2,1-2H3