N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyrrolidinosulfonyl-benzamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H30N4O3S/c1-18-16-20(26-14-12-25(2)13-15-26)8-9-22(18)24-23(28)19-6-5-7-21(17-19)31(29,30)27-10-3-4-11-27/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,24,28)/p+1