3-methoxy-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]benzamide

Systemtic Name: 3-methoxy-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-3-methoxy-benzamide CAS Name: 3-methoxy-N-[2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-3-methoxybenzamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-3-methoxy-benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-28-20-9-5-8-19(16-20)21(25)22-10-15-29(26,27)24-13-11-23(12-14-24)17-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,22,25)/p+1