4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butyramide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H25N3O5S2/c1-4-30-17-9-12-19-20(14-17)31-22(23-19)24-21(27)6-5-13-25(3)32(28,29)18-10-7-16(8-11-18)15(2)26/h7-12,14H,4-6,13H2,1-3H3,(H,23,24,27)