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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(1,3-benzothiazol-2-yl)butyramide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O4S2/c1-14(24)15-9-11-16(12-10-15)29(26,27)23(2)13-5-8-19(25)22-20-21-17-6-3-4-7-18(17)28-20/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,21,22,25)