6-chloranyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxidanylidene-N-phenethyl-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 6-chloranyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxidanylidene-N-phenethyl-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: 6-chloro-N-[(5-methyl-2-thienyl)methyl]-3-oxo-N-phenethyl-4H-1,4-benzoxazine-7-sulfonamide CAS Name: 6-chloro-N-[(5-methyl-2-thiophenyl)methyl]-3-oxo-N-phenethyl-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: 6-chloro-N-[(5-methylthiophen-2-yl)methyl]-3-oxo-N-phenethyl-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: 6-chloro-3-keto-N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-4H-1,4-benzoxazine-7-sulfonamide Formula: C22H21ClN2O4S2 MolecularWeight: 476.99614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C22H21ClN2O4S2/c1-15-7-8-17(30-15)13-25(10-9-16-5-3-2-4-6-16)31(27,28)21-12-20-19(11-18(21)23)24-22(26)14-29-20/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,26)