3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-phenethyl-butanamide

Systemtic Name: 3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-phenethyl-butanamide Openeye Name: 3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-phenethyl-butanamide CAS Name: 3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-phenethylbutanamide IUPAC Name: 3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-phenethylbutanamide Traditional Name: 3-[(3-keto-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-phenethyl-butyramide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CC(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C20H22N2O4S2/c1-14(11-19(23)21-10-9-15-5-3-2-4-6-15)28(25,26)16-7-8-18-17(12-16)22-20(24)13-27-18/h2-8,12,14H,9-11,13H2,1H3,(H,21,23)(H,22,24)