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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-benzothiazol-2-yl)butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-benzothiazol-2-yl)butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-(1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-benzothiazol-2-yl)butanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-benzothiazol-2-yl)butyramide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O3S2/c27-22(10-7-11-23-25-20-8-3-4-9-21(20)30-23)24-18-12-14-19(15-13-18)31(28,29)26-16-5-1-2-6-17-26/h3-4,8-9,12-15H,1-2,5-7,10-11,16-17H2,(H,24,27)