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

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]ethyl]azanium Openeye Name: [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[(1-besylisonipecotoyl)amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H33N3O3S/c1-3-26(4-2)23(20-11-7-5-8-12-20)19-25-24(28)21-15-17-27(18-16-21)31(29,30)22-13-9-6-10-14-22/h5-14,21,23H,3-4,15-19H2,1-2H3,(H,25,28)/p+1/t23-/m1/s1