methyl 4-[2-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(1-indan-5-ylsulfonylpiperidine-4-carbonyl)amino]ethyl]benzoate CAS Name: 4-[2-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]ethyl]benzoate Traditional Name: 4-[2-[(1-indan-5-ylsulfonylisonipecotoyl)amino]ethyl]benzoic acid methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C25H30N2O5S/c1-32-25(29)21-7-5-18(6-8-21)11-14-26-24(28)20-12-15-27(16-13-20)33(30,31)23-10-9-19-3-2-4-22(19)17-23/h5-10,17,20H,2-4,11-16H2,1H3,(H,26,28)