methyl (2S)-2-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C25H30N2O5S/c1-32-25(29)23(16-18-6-3-2-4-7-18)26-24(28)20-12-14-27(15-13-20)33(30,31)22-11-10-19-8-5-9-21(19)17-22/h2-4,6-7,10-11,17,20,23H,5,8-9,12-16H2,1H3,(H,26,28)/t23-/m0/s1