[(1S)-2-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[1-(2,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[1-(2,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CC=C3)[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C)C

InChI

InChI=1S/C24H33N3O3S/c1-18-10-11-23(19(2)16-18)31(29,30)27-14-12-21(13-15-27)24(28)25-17-22(26(3)4)20-8-6-5-7-9-20/h5-11,16,21-22H,12-15,17H2,1-4H3,(H,25,28)/p+1/t22-/m1/s1