ethyl 1-[(3,4-dichlorophenyl)methyl]-3-morpholin-4-ylsulfonyl-indole-2-carboxylate

Systemtic Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-3-morpholin-4-ylsulfonyl-indole-2-carboxylate Openeye Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-3-morpholinosulfonyl-indole-2-carboxylate CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-(4-morpholinylsulfonyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-3-morpholin-4-ylsulfonylindole-2-carboxylate Traditional Name: 1-(3,4-dichlorobenzyl)-3-morpholinosulfonyl-indole-2-carboxylic acid ethyl ester Formula: C22H22Cl2N2O5S MolecularWeight: 497.39148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H22Cl2N2O5S/c1-2-31-22(27)20-21(32(28,29)25-9-11-30-12-10-25)16-5-3-4-6-19(16)26(20)14-15-7-8-17(23)18(24)13-15/h3-8,13H,2,9-12,14H2,1H3