N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-propoxy-benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-propoxy-benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-propoxy-benzamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-propoxybenzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-propoxybenzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-propoxy-benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H27N3O4S/c1-3-16-28-20-7-5-4-6-19(20)21(25)22-17-8-10-18(11-9-17)29(26,27)24-14-12-23(2)13-15-24/h4-11H,3,12-16H2,1-2H3,(H,22,25)/p+1