3,4-dimethoxy-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazino)-3-keto-propyl]-3,4-dimethoxy-benzenesulfonamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H29N3O5S/c1-29-20-9-8-19(16-21(20)30-2)31(27,28)23-11-10-22(26)25-14-12-24(13-15-25)17-18-6-4-3-5-7-18/h3-9,16,23H,10-15,17H2,1-2H3