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

Systemtic Name: 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(4-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H23N3O4S2/c1-14-6-4-7-18-20(14)23-21(29-18)22-19(26)8-5-13-24(3)30(27,28)17-11-9-16(10-12-17)15(2)25/h4,6-7,9-12H,5,8,13H2,1-3H3,(H,22,23,26)