methyl-[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]-(2-phenoxyethyl)azanium

Systemtic Name: methyl-[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]-(2-phenoxyethyl)azanium Openeye Name: methyl-[(1S)-1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]-(2-phenoxyethyl)ammonium CAS Name: methyl-[(2S)-1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[(2S)-1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl]-(2-phenoxyethyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+](C)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+](C)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-19(25(2)17-18-30-21-9-5-3-6-10-21)23(27)24-20-11-13-22(14-12-20)31(28,29)26-15-7-4-8-16-26/h3,5-6,9-14,19H,4,7-8,15-18H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1