N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide Traditional Name: 3-(mesitylsulfonylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propionamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC(=O)NC2=CC3=C(C=C2)N=C(S3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC(=O)NC2=CC3=C(C=C2)N=C(S3)C)C

InChI

InChI=1S/C20H23N3O3S2/c1-12-9-13(2)20(14(3)10-12)28(25,26)21-8-7-19(24)23-16-5-6-17-18(11-16)27-15(4)22-17/h5-6,9-11,21H,7-8H2,1-4H3,(H,23,24)