6-chloranyl-N-[1-(4-ethylphenyl)-2-methyl-propyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 6-chloranyl-N-[1-(4-ethylphenyl)-2-methyl-propyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: 6-chloro-N-[1-(4-ethylphenyl)-2-methyl-propyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: 6-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: 6-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: 6-chloro-N-[1-(4-ethylphenyl)-2-methyl-propyl]-3-keto-4H-1,4-benzoxazine-7-sulfonamide Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(C)C)NS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-4-13-5-7-14(8-6-13)20(12(2)3)23-28(25,26)18-10-17-16(9-15(18)21)22-19(24)11-27-17/h5-10,12,20,23H,4,11H2,1-3H3,(H,22,24)