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

Systemtic Name: methyl 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(1-indan-5-ylsulfonylpiperidine-4-carbonyl)amino]-4-methyl-benzoate CAS Name: 3-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[(1-indan-5-ylsulfonylisonipecotoyl)amino]-4-methyl-benzoic acid methyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-16-6-7-20(24(28)31-2)15-22(16)25-23(27)18-10-12-26(13-11-18)32(29,30)21-9-8-17-4-3-5-19(17)14-21/h6-9,14-15,18H,3-5,10-13H2,1-2H3,(H,25,27)