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

Systemtic Name: methyl 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[(4-indan-5-ylsulfonylpiperazine-1-carbonyl)amino]benzoate CAS Name: 2-[[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[(4-indan-5-ylsulfonylpiperazine-1-carbonyl)amino]benzoic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H25N3O5S/c1-30-21(26)19-7-2-3-8-20(19)23-22(27)24-11-13-25(14-12-24)31(28,29)18-10-9-16-5-4-6-17(16)15-18/h2-3,7-10,15H,4-6,11-14H2,1H3,(H,23,27)