1-(phenylmethyl)-5-(phenylsulfonylamino)indole-2-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-5-(phenylsulfonylamino)indole-2-carboxylic acid Openeye Name: 5-(benzenesulfonamido)-1-benzyl-indole-2-carboxylic acid CAS Name: 5-(benzenesulfonamido)-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 5-(benzenesulfonamido)-1-benzylindole-2-carboxylic acid Traditional Name: 5-(benzenesulfonamido)-1-benzyl-indole-2-carboxylic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C=C2C(=O)O

InChI

InChI=1S/C22H18N2O4S/c25-22(26)21-14-17-13-18(23-29(27,28)19-9-5-2-6-10-19)11-12-20(17)24(21)15-16-7-3-1-4-8-16/h1-14,23H,15H2,(H,25,26)