6-chloranyl-3-oxidanylidene-N-(phenylmethyl)-N-(1-thiophen-2-ylpropan-2-yl)-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 6-chloranyl-3-oxidanylidene-N-(phenylmethyl)-N-(1-thiophen-2-ylpropan-2-yl)-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: N-benzyl-6-chloro-N-[1-methyl-2-(2-thienyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: 6-chloro-3-oxo-N-(phenylmethyl)-N-(1-thiophen-2-ylpropan-2-yl)-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: N-benzyl-6-chloro-3-oxo-N-(1-thiophen-2-ylpropan-2-yl)-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: N-benzyl-6-chloro-3-keto-N-[1-methyl-2-(2-thienyl)ethyl]-4H-1,4-benzoxazine-7-sulfonamide Formula: C22H21ClN2O4S2 MolecularWeight: 476.99614

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)N(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

CC(CC1=CC=CS1)N(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

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