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

Systemtic Name: 4,6-bis(chloranyl)-3-[2-(phenylsulfonylcarbamoylamino)ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(benzenesulfonylcarbamoylamino)ethyl]-4,6-dichloro-1H-indole-2-carboxylic acid CAS Name: 3-[2-[[benzenesulfonamido(oxo)methyl]amino]ethyl]-4,6-dichloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(benzenesulfonylcarbamoylamino)ethyl]-4,6-dichloro-1H-indole-2-carboxylic acid Traditional Name: 3-[2-(besylcarbamoylamino)ethyl]-4,6-dichloro-1H-indole-2-carboxylic acid Formula: C18H15Cl2N3O5S MolecularWeight: 456.2998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H15Cl2N3O5S/c19-10-8-13(20)15-12(16(17(24)25)22-14(15)9-10)6-7-21-18(26)23-29(27,28)11-4-2-1-3-5-11/h1-5,8-9,22H,6-7H2,(H,24,25)(H2,21,23,26)