methyl 4-chloranyl-3-[[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[oxo-[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-4-chlorobenzoate Traditional Name: 3-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-4-chloro-benzoic acid methyl ester Formula: C24H21ClN2O6S MolecularWeight: 500.95134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H21ClN2O6S/c1-32-24(29)17-11-12-18(25)19(13-17)26-23(28)22-14-27(20-9-5-6-10-21(20)33-22)34(30,31)15-16-7-3-2-4-8-16/h2-13,22H,14-15H2,1H3,(H,26,28)