4,6-bis(chloranyl)-3-[(phenylsulfonylcarbamoylamino)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-3-[(phenylsulfonylcarbamoylamino)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(benzenesulfonylcarbamoylamino)methyl]-4,6-dichloro-1H-indole-2-carboxylic acid CAS Name: 3-[[[benzenesulfonamido(oxo)methyl]amino]methyl]-4,6-dichloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[(benzenesulfonylcarbamoylamino)methyl]-4,6-dichloro-1H-indole-2-carboxylic acid Traditional Name: 3-[(besylcarbamoylamino)methyl]-4,6-dichloro-1H-indole-2-carboxylic acid Formula: C17H13Cl2N3O5S MolecularWeight: 442.27322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H13Cl2N3O5S/c18-9-6-12(19)14-11(15(16(23)24)21-13(14)7-9)8-20-17(25)22-28(26,27)10-4-2-1-3-5-10/h1-7,21H,8H2,(H,23,24)(H2,20,22,25)