N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-propionamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N(C)CC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N(C)CC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H23N3O3S2/c1-14-8-9-16(12-15(14)2)28(25,26)21-11-10-20(24)23(3)13-19-22-17-6-4-5-7-18(17)27-19/h4-9,12,21H,10-11,13H2,1-3H3