N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H27N3O4S2/c1-17-10-11-18(14-21(17)32(28,29)26-12-6-2-3-7-13-26)24-22(27)15-30-16-23-25-19-8-4-5-9-20(19)31-23/h4-5,8-11,14H,2-3,6-7,12-13,15-16H2,1H3,(H,24,27)