[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[4-(2-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-23(15-16-29-18-7-3-2-4-8-18)17-21(26)24-11-13-25(14-12-24)30(27,28)20-10-6-5-9-19(20)22/h2-10H,11-17H2,1H3/p+1