[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium

Systemtic Name: [2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: [2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: [2-[4-(4-acetylphenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-(2-pyrrolidinobenzyl)ammonium Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C26H34N4O4S/c1-21(31)22-9-11-24(12-10-22)35(33,34)30-17-15-29(16-18-30)26(32)20-27(2)19-23-7-3-4-8-25(23)28-13-5-6-14-28/h3-4,7-12H,5-6,13-20H2,1-2H3/p+1