1-[(3,4-dichlorophenyl)methyl]-3-morpholin-4-ylsulfonyl-indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3-morpholin-4-ylsulfonyl-indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-3-morpholinosulfonyl-indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-(4-morpholinylsulfonyl)-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3-morpholin-4-ylsulfonylindole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-3-morpholinosulfonyl-indole-2-carboxylic acid Formula: C20H18Cl2N2O5S MolecularWeight: 469.33832

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H18Cl2N2O5S/c21-15-6-5-13(11-16(15)22)12-24-17-4-2-1-3-14(17)19(18(24)20(25)26)30(27,28)23-7-9-29-10-8-23/h1-6,11H,7-10,12H2,(H,25,26)