N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-keto-1,3-benzothiazol-3-yl)propionamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C22H25N3O4S2/c26-21(13-16-25-19-7-3-4-8-20(19)30-22(25)27)23-17-9-11-18(12-10-17)31(28,29)24-14-5-1-2-6-15-24/h3-4,7-12H,1-2,5-6,13-16H2,(H,23,26)