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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H25N3O4S2/c1-4-5-6-16-7-12-19-20(13-16)30-22(23-19)24-21(27)14-25(3)31(28,29)18-10-8-17(9-11-18)15(2)26/h7-13H,4-6,14H2,1-3H3,(H,23,24,27)