[(2S)-1-[[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-[[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[1-(4-acetylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-[[[1-(4-acetylphenyl)sulfonylisonipecotoyl]amino]methyl]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(CC3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](CC3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C25H33N3O4S/c1-19(29)21-9-11-24(12-10-21)33(31,32)28-15-13-22(14-16-28)25(30)26-18-23(27(2)3)17-20-7-5-4-6-8-20/h4-12,22-23H,13-18H2,1-3H3,(H,26,30)/p+1/t23-/m0/s1