3,4-dimethoxy-N-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]benzamide hydrochloride

Systemtic Name: 3,4-dimethoxy-N-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]benzamide hydrochloride Openeye Name: N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3,4-dimethoxy-benzamide hydrochloride CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazinyl]ethyl]-3,4-dimethoxybenzamide hydrochloride IUPAC Name: N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide hydrochloride Traditional Name: N-[2-(4-besylpiperazino)ethyl]-3,4-dimethoxy-benzamide hydrochloride Formula: C21H28ClN3O5S MolecularWeight: 469.98212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC.Cl

InChI

InChI=1S/C21H27N3O5S.ClH/c1-28-19-9-8-17(16-20(19)29-2)21(25)22-10-11-23-12-14-24(15-13-23)30(26,27)18-6-4-3-5-7-18;/h3-9,16H,10-15H2,1-2H3,(H,22,25);1H