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

Systemtic Name: ethyl 3-chloranyl-4-[[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-3-chloro-benzoate CAS Name: 3-chloro-4-[[oxo-[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-3-chlorobenzoate Traditional Name: 4-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-3-chloro-benzoic acid ethyl ester Formula: C25H23ClN2O6S MolecularWeight: 514.97792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN2O6S/c1-2-33-25(30)18-12-13-20(19(26)14-18)27-24(29)23-15-28(21-10-6-7-11-22(21)34-23)35(31,32)16-17-8-4-3-5-9-17/h3-14,23H,2,15-16H2,1H3,(H,27,29)