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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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