N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(1,3-benzothiazol-2-yl)butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(1,3-benzothiazol-2-yl)butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(1,3-benzothiazol-2-yl)butanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(1,3-benzothiazol-2-yl)butyramide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H29N3O4S2/c1-31-21-14-13-18(33(29,30)27-15-6-2-3-7-16-27)17-20(21)25-23(28)11-8-12-24-26-19-9-4-5-10-22(19)32-24/h4-5,9-10,13-14,17H,2-3,6-8,11-12,15-16H2,1H3,(H,25,28)