methyl 4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl 4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl 4-[1-(4-isopropylphenyl)sulfonylpiperidine-4-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 4-[oxo-[1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 4-(1-p-cumenylsulfonylisonipecotoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC(OC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC(OC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C25H30N2O6S/c1-17(2)18-8-10-20(11-9-18)34(30,31)26-14-12-19(13-15-26)24(28)27-16-23(25(29)32-3)33-22-7-5-4-6-21(22)27/h4-11,17,19,23H,12-16H2,1-3H3