diethyl-[(2S)-1-phenyl-3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-phenyl-3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-[[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]methyl]-2-phenyl-ethyl]-diethyl-ammonium CAS Name: [(2S)-1-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-diethylammonium IUPAC Name: [(2S)-1-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-phenylpropan-2-yl]-diethylazanium Traditional Name: [(1S)-1-benzyl-2-[(1-besylisonipecotoyl)amino]ethyl]-diethyl-ammonium Formula: C25H36N3O3S+ MolecularWeight: 458.63664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H35N3O3S/c1-3-27(4-2)23(19-21-11-7-5-8-12-21)20-26-25(29)22-15-17-28(18-16-22)32(30,31)24-13-9-6-10-14-24/h5-14,22-23H,3-4,15-20H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1