N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(2R)-6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(2R)-6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(2R)-6-chloro-3-keto-4H-1,4-benzothiazin-2-yl]acetamide Formula: C22H24ClN3O4S2 MolecularWeight: 494.02666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[C@@H]3C(=O)NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C22H24ClN3O4S2/c23-15-8-9-19-18(12-15)25-22(28)20(31-19)14-21(27)24-16-6-5-7-17(13-16)32(29,30)26-10-3-1-2-4-11-26/h5-9,12-13,20H,1-4,10-11,14H2,(H,24,27)(H,25,28)/t20-/m1/s1