2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-N-phenethyl-ethanamide Openeye Name: 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-phenethyl-acetamide CAS Name: 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-N-phenethylacetamide IUPAC Name: 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-phenethylacetamide Traditional Name: 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-phenethyl-acetamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S2/c1-19-27-23-13-12-22(16-24(23)32-19)33(30,31)28(17-21-10-6-3-7-11-21)18-25(29)26-15-14-20-8-4-2-5-9-20/h2-13,16H,14-15,17-18H2,1H3,(H,26,29)