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

Systemtic Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[4-[ethyl(isopropyl)amino]phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[4-[ethyl(isopropyl)amino]phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C23H33N4O3S+ MolecularWeight: 445.59812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3S/c1-5-27(18(2)3)21-11-9-20(10-12-21)24-23(28)19-7-6-8-22(17-19)31(29,30)26-15-13-25(4)14-16-26/h6-12,17-18H,5,13-16H2,1-4H3,(H,24,28)/p+1