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

Systemtic Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C24H29N4O4S+ MolecularWeight: 469.57646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4CC4

InChI

InChI=1S/C24H28N4O4S/c1-32-22-10-6-19(7-11-22)17-27(21-8-9-21)18-24(29)26-12-14-28(15-13-26)33(30,31)23-5-3-2-4-20(23)16-25/h2-7,10-11,21H,8-9,12-15,17-18H2,1H3/p+1