ethyl 6-bromanyl-1-cyclopropyl-2-[(3-methoxyphenyl)sulfonylmethyl]-5-oxidanyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-2-[(3-methoxyphenyl)sulfonylmethyl]-5-oxidanyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-[(3-methoxyphenyl)sulfonylmethyl]-4-(1-piperidylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[(3-methoxyphenyl)sulfonylmethyl]-4-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-[(3-methoxyphenyl)sulfonylmethyl]-4-(piperidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[(3-methoxyphenyl)sulfonylmethyl]-4-(piperidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C28H33BrN2O6S MolecularWeight: 605.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCCC3)O)Br)C4CC4)CS(=O)(=O)C5=CC=CC(=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCCC3)O)Br)C4CC4)CS(=O)(=O)C5=CC=CC(=C5)OC

InChI

InChI=1S/C28H33BrN2O6S/c1-3-37-28(33)26-24(17-38(34,35)20-9-7-8-19(14-20)36-2)31(18-10-11-18)23-15-22(29)27(32)21(25(23)26)16-30-12-5-4-6-13-30/h7-9,14-15,18,32H,3-6,10-13,16-17H2,1-2H3