methyl 4-[[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-[[2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl]amino]benzoic acid methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H27N3O5S/c1-31-23(28)18-5-8-20(9-6-18)24-16-22(27)25-11-13-26(14-12-25)32(29,30)21-10-7-17-3-2-4-19(17)15-21/h5-10,15,24H,2-4,11-14,16H2,1H3