2-[5-chloranyl-2-methyl-3-[(4-methylsulfonylphenyl)sulfonylamino]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-methyl-3-[(4-methylsulfonylphenyl)sulfonylamino]indol-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-2-methyl-3-[(4-methylsulfonylphenyl)sulfonylamino]indol-1-yl]acetic acid CAS Name: 2-[5-chloro-2-methyl-3-[(4-methylsulfonylphenyl)sulfonylamino]-1-indolyl]acetic acid IUPAC Name: 2-[5-chloro-2-methyl-3-[(4-methylsulfonylphenyl)sulfonylamino]indol-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-[(4-mesylphenyl)sulfonylamino]-2-methyl-indol-1-yl]acetic acid Formula: C18H17ClN2O6S2 MolecularWeight: 456.92038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H17ClN2O6S2/c1-11-18(15-9-12(19)3-8-16(15)21(11)10-17(22)23)20-29(26,27)14-6-4-13(5-7-14)28(2,24)25/h3-9,20H,10H2,1-2H3,(H,22,23)