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

Systemtic Name: dimethyl-[(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]-dimethyl-ammonium CAS Name: [(1S)-2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(1-besylisonipecotoyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-24(2)21(18-9-5-3-6-10-18)17-23-22(26)19-13-15-25(16-14-19)29(27,28)20-11-7-4-8-12-20/h3-12,19,21H,13-17H2,1-2H3,(H,23,26)/p+1/t21-/m1/s1