3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylic acid

Systemtic Name: 3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylic acid Openeye Name: 3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylic acid CAS Name: 3-methyl-1-[(4-methylsulfonylphenyl)methyl]-6-indolecarboxylic acid IUPAC Name: 3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylic acid Traditional Name: 1-(4-mesylbenzyl)-3-methyl-indole-6-carboxylic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=CC(=C2)C(=O)O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CN(C2=C1C=CC(=C2)C(=O)O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H17NO4S/c1-12-10-19(17-9-14(18(20)21)5-8-16(12)17)11-13-3-6-15(7-4-13)24(2,22)23/h3-10H,11H2,1-2H3,(H,20,21)