2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoylamino]ethanesulfonic acid Openeye Name: 2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]amino]ethanesulfonic acid CAS Name: 2-[[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]amino]ethanesulfonic acid Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C21H21ClN2O6S/c1-13-17(12-20(25)23-9-10-31(27,28)29)18-11-16(30-2)7-8-19(18)24(13)21(26)14-3-5-15(22)6-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,23,25)(H,27,28,29)