[5-[(4-chlorophenyl)sulfonylamino]-1-methyl-3-pyridin-3-yl-indol-1-ium-1-yl] propanoate

Systemtic Name: [5-[(4-chlorophenyl)sulfonylamino]-1-methyl-3-pyridin-3-yl-indol-1-ium-1-yl] propanoate Openeye Name: [5-[(4-chlorophenyl)sulfonylamino]-1-methyl-3-(3-pyridyl)indol-1-ium-1-yl] propanoate CAS Name: propanoic acid [5-[(4-chlorophenyl)sulfonylamino]-1-methyl-3-(3-pyridinyl)-1-indol-1-iumyl] ester IUPAC Name: [5-[(4-chlorophenyl)sulfonylamino]-1-methyl-3-pyridin-3-ylindol-1-ium-1-yl] propanoate Traditional Name: propionic acid [5-[(4-chlorophenyl)sulfonylamino]-1-methyl-3-(3-pyridyl)indol-1-ium-1-yl] ester Formula: C23H21ClN3O4S+ MolecularWeight: 470.94854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O[N+]1(C=C(C2=C1C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CN=CC=C4)C

Isomeric SMILES

CCC(=O)O[N+]1(C=C(C2=C1C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CN=CC=C4)C

InChI

InChI=1S/C23H21ClN3O4S/c1-3-23(28)31-27(2)15-21(16-5-4-12-25-14-16)20-13-18(8-11-22(20)27)26-32(29,30)19-9-6-17(24)7-10-19/h4-15,26H,3H2,1-2H3/q+1