ethyl 6-bromanyl-1-methyl-5-[3-[4-(4-methylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-[3-[4-(4-methylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-[2-hydroxy-3-[4-(p-tolyl)piperazin-1-yl]propoxy]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-[2-hydroxy-3-[4-(4-methylphenyl)-1-piperazinyl]propoxy]-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-[2-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-[2-hydroxy-3-[4-(p-tolyl)piperazino]propoxy]-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C33H38BrN3O4S MolecularWeight: 652.64152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC(CN3CCN(CC3)C4=CC=C(C=C4)C)O)Br)C)CSC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC(CN3CCN(CC3)C4=CC=C(C=C4)C)O)Br)C)CSC5=CC=CC=C5

InChI

InChI=1S/C33H38BrN3O4S/c1-4-40-33(39)32-27-18-31(28(34)19-29(27)35(3)30(32)22-42-26-8-6-5-7-9-26)41-21-25(38)20-36-14-16-37(17-15-36)24-12-10-23(2)11-13-24/h5-13,18-19,25,38H,4,14-17,20-22H2,1-3H3