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

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C18H28N4O4S/c1-14(2)17(23)19-7-8-20-18(24)15-5-4-6-16(13-15)27(25,26)22-11-9-21(3)10-12-22/h4-6,13-14H,7-12H2,1-3H3,(H,19,23)(H,20,24)/p+1