N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C24H34N3O5S+ MolecularWeight: 476.60886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)OCC

InChI

InChI=1S/C24H33N3O5S/c1-4-31-22-10-9-19(17-23(22)32-5-2)11-12-25-24(28)20-7-6-8-21(18-20)33(29,30)27-15-13-26(3)14-16-27/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,25,28)/p+1