ethyl 6-bromanyl-1-methyl-5-(2-oxidanyl-3-piperidin-1-yl-propoxy)-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-(2-oxidanyl-3-piperidin-1-yl-propoxy)-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-[2-hydroxy-3-(1-piperidyl)propoxy]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-[2-hydroxy-3-(1-piperidinyl)propoxy]-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-(2-hydroxy-3-piperidin-1-ylpropoxy)-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-(2-hydroxy-3-piperidino-propoxy)-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C27H33BrN2O4S MolecularWeight: 561.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC(CN3CCCCC3)O)Br)C)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC(CN3CCCCC3)O)Br)C)CSC4=CC=CC=C4

InChI

InChI=1S/C27H33BrN2O4S/c1-3-33-27(32)26-21-14-25(34-17-19(31)16-30-12-8-5-9-13-30)22(28)15-23(21)29(2)24(26)18-35-20-10-6-4-7-11-20/h4,6-7,10-11,14-15,19,31H,3,5,8-9,12-13,16-18H2,1-2H3