4-(4-chloranyl-3-nitro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-(4-chloranyl-3-nitro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-(4-chloro-3-nitro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-(4-chloro-3-nitrophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-(4-chloro-3-nitrophenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-(4-chloro-3-nitro-phenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O6S/c1-2-9-20-18(23)17-11-21(14-5-3-4-6-16(14)28-17)29(26,27)12-7-8-13(19)15(10-12)22(24)25/h3-8,10,17H,2,9,11H2,1H3,(H,20,23)