methyl 4-methyl-3-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[(1-tetralin-6-ylsulfonylpiperidine-4-carbonyl)amino]benzoate CAS Name: 4-methyl-3-[[oxo-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-methyl-3-[(1-tetralin-6-ylsulfonylisonipecotoyl)amino]benzoic acid methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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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(CCCC4)C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C25H30N2O5S/c1-17-7-8-21(25(29)32-2)16-23(17)26-24(28)19-11-13-27(14-12-19)33(30,31)22-10-9-18-5-3-4-6-20(18)15-22/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,26,28)