2-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S/c1-20-9-10-22(32(30,31)28-12-5-6-13-28)19-23(20)24(29)25-11-14-26-15-17-27(18-16-26)21-7-3-2-4-8-21/h2-4,7-10,19H,5-6,11-18H2,1H3,(H,25,29)/p+1