3-[(2-acetamido-1,3-thiazol-5-yl)sulfonylamino]-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-[(2-acetamido-1,3-thiazol-5-yl)sulfonylamino]-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[(2-acetamidothiazol-5-yl)sulfonylamino]-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[(2-acetamido-5-thiazolyl)sulfonylamino]-1-[(3,4-dichlorophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[(2-acetamido-1,3-thiazol-5-yl)sulfonylamino]-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[(2-acetamidothiazol-5-yl)sulfonylamino]-1-(3,4-dichlorobenzyl)indole-2-carboxylic acid Formula: C21H16Cl2N4O5S2 MolecularWeight: 539.41154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(S1)S(=O)(=O)NC2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=NC=C(S1)S(=O)(=O)NC2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H16Cl2N4O5S2/c1-11(28)25-21-24-9-17(33-21)34(31,32)26-18-13-4-2-3-5-16(13)27(19(18)20(29)30)10-12-6-7-14(22)15(23)8-12/h2-9,26H,10H2,1H3,(H,29,30)(H,24,25,28)