[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-keto-2-(4-tosylpiperazino)ethyl]ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C23H31N3O3S/c1-19(2)25(17-21-7-5-4-6-8-21)18-23(27)24-13-15-26(16-14-24)30(28,29)22-11-9-20(3)10-12-22/h4-12,19H,13-18H2,1-3H3/p+1