ethyl 6-bromanyl-1-cyclopropyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-2-[(phenylmethyl)sulfonylmethyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-2-[(phenylmethyl)sulfonylmethyl]indole-3-carboxylate Openeye Name: ethyl 2-(benzylsulfonylmethyl)-6-bromo-1-cyclopropyl-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-4-[(2-methyl-1-imidazolyl)methyl]-2-[(phenylmethyl)sulfonylmethyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylsulfonylmethyl)-6-bromo-1-cyclopropyl-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 2-(benzylsulfonylmethyl)-6-bromo-1-cyclopropyl-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C27H28BrN3O5S MolecularWeight: 586.49732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C4CC4)CS(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C4CC4)CS(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H28BrN3O5S/c1-3-36-27(33)25-23(16-37(34,35)15-18-7-5-4-6-8-18)31(19-9-10-19)22-13-21(28)26(32)20(24(22)25)14-30-12-11-29-17(30)2/h4-8,11-13,19,32H,3,9-10,14-16H2,1-2H3