methyl 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[(4-tetralin-6-ylsulfonylpiperazine-1-carbonyl)amino]benzoate CAS Name: 2-[[oxo-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[(4-tetralin-6-ylsulfonylpiperazine-1-carbonyl)amino]benzoic acid methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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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(CCCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C23H27N3O5S/c1-31-22(27)20-8-4-5-9-21(20)24-23(28)25-12-14-26(15-13-25)32(29,30)19-11-10-17-6-2-3-7-18(17)16-19/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H,24,28)