methyl 2-[4-(3-indol-1-ylpropylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(3-indol-1-ylpropylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(3-indol-1-ylpropylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[3-(1-indolyl)propylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(3-indol-1-ylpropylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(3-indol-1-ylpropylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O5S/c1-33-25(30)21-8-3-5-10-23(21)34(31,32)28-17-12-20(13-18-28)24(29)26-14-6-15-27-16-11-19-7-2-4-9-22(19)27/h2-5,7-11,16,20H,6,12-15,17-18H2,1H3,(H,26,29)