N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O5S2/c1-30-20-11-10-17(33(28,29)26-12-6-2-3-7-13-26)14-19(20)24-22(27)15-31-16-23-25-18-8-4-5-9-21(18)32-23/h4-5,8-11,14H,2-3,6-7,12-13,15-16H2,1H3,(H,24,27)