N-(2-methoxyphenyl)-4-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-enyl]benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-4-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-enyl]benzenesulfonamide Openeye Name: 4-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxo-prop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-4-[(E)-3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]prop-1-enyl]benzenesulfonamide IUPAC Name: 4-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: 4-[(E)-3-(4-benzylpiperazino)-3-keto-prop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-34-26-10-6-5-9-25(26)28-35(32,33)24-14-11-22(12-15-24)13-16-27(31)30-19-17-29(18-20-30)21-23-7-3-2-4-8-23/h2-16,28H,17-21H2,1H3/b16-13+