ethyl 2-[(3-methoxyphenyl)sulfonylmethyl]-1-methyl-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 2-[(3-methoxyphenyl)sulfonylmethyl]-1-methyl-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-[(3-methoxyphenyl)sulfonylmethyl]-1-methyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-2-[(3-methoxyphenyl)sulfonylmethyl]-1-methyl-4-(1-pyrrolidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-[(3-methoxyphenyl)sulfonylmethyl]-1-methyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 5-hydroxy-2-[(3-methoxyphenyl)sulfonylmethyl]-1-methyl-4-(pyrrolidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCCC3)C)CS(=O)(=O)C4=CC=CC(=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCCC3)C)CS(=O)(=O)C4=CC=CC(=C4)OC

InChI

InChI=1S/C25H30N2O6S/c1-4-33-25(29)24-21(16-34(30,31)18-9-7-8-17(14-18)32-3)26(2)20-10-11-22(28)19(23(20)24)15-27-12-5-6-13-27/h7-11,14,28H,4-6,12-13,15-16H2,1-3H3