2-[(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-phenethyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-phenethyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-phenethyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl-phenethylamino]ethyl-dimethylammonium IUPAC Name: 2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-phenethylamino]ethyl-dimethylazanium Traditional Name: 2-[(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-phenethyl-amino]ethyl-dimethyl-ammonium Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N(CCC2=CC=CC=C2)CC[NH+](C)C

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N(CCC2=CC=CC=C2)CC[NH+](C)C

InChI

InChI=1S/C18H26N4O3S/c1-20(2)11-12-22(10-9-15-7-5-4-6-8-15)26(24,25)16-13-17(18(19)23)21(3)14-16/h4-8,13-14H,9-12H2,1-3H3,(H2,19,23)/p+1