1-[(3,4-dichlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)sulfonyl-indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)sulfonyl-indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)sulfonyl-indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(4-methyl-1-piperazinyl)sulfonyl]-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylindole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-3-(4-methylpiperazino)sulfonyl-indole-2-carboxylic acid Formula: C21H21Cl2N3O4S MolecularWeight: 482.38014

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H21Cl2N3O4S/c1-24-8-10-25(11-9-24)31(29,30)20-15-4-2-3-5-18(15)26(19(20)21(27)28)13-14-6-7-16(22)17(23)12-14/h2-7,12H,8-11,13H2,1H3,(H,27,28)