methyl 1-[[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-(4-tosyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)isonipecotic acid methyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C23H26N2O6S/c1-16-7-9-18(10-8-16)32(28,29)25-15-21(31-20-6-4-3-5-19(20)25)22(26)24-13-11-17(12-14-24)23(27)30-2/h3-10,17,21H,11-15H2,1-2H3