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

Systemtic Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium Openeye Name: benzhydryl-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(diphenylmethyl)-methylammonium IUPAC Name: benzhydryl-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: benzhydryl-[2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-ammonium Formula: C27H29N4O3S+ MolecularWeight: 489.60916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O3S/c1-29(27(22-10-4-2-5-11-22)23-12-6-3-7-13-23)21-26(32)30-16-18-31(19-17-30)35(33,34)25-15-9-8-14-24(25)20-28/h2-15,27H,16-19,21H2,1H3/p+1