ethyl 2-methyl-5-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-propoxy]-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-propoxy]-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[2-hydroxy-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propoxy]-2-methyl-indole-3-carboxylate CAS Name: 5-[2-hydroxy-3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]propoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[2-hydroxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propoxy]-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-5-[2-hydroxy-3-(4-tosylpiperazino)propoxy]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C33H39N3O6S MolecularWeight: 605.74426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)O)CC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)O)CC5=CC=CC=C5)C

InChI

InChI=1S/C33H39N3O6S/c1-4-41-33(38)32-25(3)36(21-26-8-6-5-7-9-26)31-15-12-28(20-30(31)32)42-23-27(37)22-34-16-18-35(19-17-34)43(39,40)29-13-10-24(2)11-14-29/h5-15,20,27,37H,4,16-19,21-23H2,1-3H3