N-(4-butylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4-butylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(4-butylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(4-butylphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(4-butylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(4-butylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N3O3S/c1-3-4-6-18-9-11-20(12-10-18)23-22(26)19-7-5-8-21(17-19)29(27,28)25-15-13-24(2)14-16-25/h5,7-12,17H,3-4,6,13-16H2,1-2H3,(H,23,26)/p+1