N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O4S2/c27-22(12-15-26-20-10-3-4-11-21(20)31-17-23(26)28)24-18-8-7-9-19(16-18)32(29,30)25-13-5-1-2-6-14-25/h3-4,7-11,16H,1-2,5-6,12-15,17H2,(H,24,27)