[(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]-[1-[4-(phenylsulfonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: [(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]-[1-[4-(phenylsulfonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [1-[4-(benzenesulfonamido)phenyl]-4-piperidyl]-[(1S)-1-methoxycarbonyl-2-methyl-propyl]ammonium CAS Name: [1-[4-(benzenesulfonamido)phenyl]-4-piperidinyl]-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [1-[4-(benzenesulfonamido)phenyl]piperidin-4-yl]-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [1-[4-(benzenesulfonamido)phenyl]-4-piperidyl]-[(1S)-1-carbomethoxy-2-methyl-propyl]ammonium Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)[NH2+]C1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)[NH2+]C1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-17(2)22(23(27)30-3)24-18-13-15-26(16-14-18)20-11-9-19(10-12-20)25-31(28,29)21-7-5-4-6-8-21/h4-12,17-18,22,24-25H,13-16H2,1-3H3/p+1/t22-/m0/s1