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

Systemtic Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: [2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: [2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-(2-pyrrolidinobenzyl)ammonium Formula: C25H32N5O3S+ MolecularWeight: 482.61828

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H31N5O3S/c1-27(19-22-9-2-4-10-23(22)28-12-6-7-13-28)20-25(31)29-14-16-30(17-15-29)34(32,33)24-11-5-3-8-21(24)18-26/h2-5,8-11H,6-7,12-17,19-20H2,1H3/p+1