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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-methyl-butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylbutanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylbutanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-butyramide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25N3O4S2/c1-16(26)17-10-12-18(13-11-17)31(28,29)25(3)14-6-9-22(27)24(2)15-21-23-19-7-4-5-8-20(19)30-21/h4-5,7-8,10-13H,6,9,14-15H2,1-3H3