[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-keto-2-[4-(4-methoxyphenyl)sulfonylpiperazino]ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O4S/c1-17(18-6-4-3-5-7-18)22-16-21(25)23-12-14-24(15-13-23)29(26,27)20-10-8-19(28-2)9-11-20/h3-11,17,22H,12-16H2,1-2H3/p+1/t17-/m1/s1