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

Systemtic Name: 2-[2,5-dimethyl-3-[(4-methylphenyl)sulfonylcarbamoyl]pyrrol-1-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2,5-dimethyl-3-(p-tolylsulfonylcarbamoyl)pyrrol-1-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2,5-dimethyl-3-[[(4-methylphenyl)sulfonylamino]-oxomethyl]-1-pyrrolyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2,5-dimethyl-3-[(4-methylphenyl)sulfonylcarbamoyl]pyrrol-1-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2,5-dimethyl-3-(tosylcarbamoyl)pyrrol-1-yl]ethyl-diisopropyl-ammonium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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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[NH+](C(C)C)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O3S/c1-15(2)24(16(3)4)12-13-25-18(6)14-21(19(25)7)22(26)23-29(27,28)20-10-8-17(5)9-11-20/h8-11,14-16H,12-13H2,1-7H3,(H,23,26)/p+1