[(1S)-2-[2,5-dimethyl-3-[(4-methylphenyl)sulfonylcarbamoyl]pyrrol-1-yl]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2,5-dimethyl-3-[(4-methylphenyl)sulfonylcarbamoyl]pyrrol-1-yl]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[2,5-dimethyl-3-(p-tolylsulfonylcarbamoyl)pyrrol-1-yl]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[2,5-dimethyl-3-[[(4-methylphenyl)sulfonylamino]-oxomethyl]-1-pyrrolyl]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[2,5-dimethyl-3-[(4-methylphenyl)sulfonylcarbamoyl]pyrrol-1-yl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[2,5-dimethyl-3-(tosylcarbamoyl)pyrrol-1-yl]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)CC(C3=CC=CC=C3)[NH+](C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)C[C@H](C3=CC=CC=C3)[NH+](C)C)C

InChI

InChI=1S/C24H29N3O3S/c1-17-11-13-21(14-12-17)31(29,30)25-24(28)22-15-18(2)27(19(22)3)16-23(26(4)5)20-9-7-6-8-10-20/h6-15,23H,16H2,1-5H3,(H,25,28)/p+1/t23-/m1/s1