[1-[4-(dimethylsulfamoylamino)phenyl]piperidin-4-yl]-[(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: [1-[4-(dimethylsulfamoylamino)phenyl]piperidin-4-yl]-[(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: [1-[4-(dimethylsulfamoylamino)phenyl]-4-piperidyl]-[(1S)-2-methoxy-2-oxo-1-phenyl-ethyl]ammonium CAS Name: [1-[4-(dimethylsulfamoylamino)phenyl]-4-piperidinyl]-[(1S)-2-methoxy-2-oxo-1-phenylethyl]ammonium IUPAC Name: [1-[4-(dimethylsulfamoylamino)phenyl]piperidin-4-yl]-[(1S)-2-methoxy-2-oxo-1-phenylethyl]azanium Traditional Name: [1-[4-(dimethylsulfamoylamino)phenyl]-4-piperidyl]-[(1S)-2-keto-2-methoxy-1-phenyl-ethyl]ammonium Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NC1=CC=C(C=C1)N2CCC(CC2)[NH2+]C(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN(C)S(=O)(=O)NC1=CC=C(C=C1)N2CCC(CC2)[NH2+][C@@H](C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H30N4O4S/c1-25(2)31(28,29)24-19-9-11-20(12-10-19)26-15-13-18(14-16-26)23-21(22(27)30-3)17-7-5-4-6-8-17/h4-12,18,21,23-24H,13-16H2,1-3H3/p+1/t21-/m0/s1