3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-phenethyl-butanamide

Systemtic Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-phenethyl-butanamide Openeye Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-phenethyl-butanamide CAS Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-phenethylbutanamide IUPAC Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-phenethylbutanamide Traditional Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-phenethyl-butyramide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S2/c1-14(2)20(21(25)22-12-11-16-7-5-4-6-8-16)24-29(26,27)17-9-10-18-19(13-17)28-15(3)23-18/h4-10,13-14,20,24H,11-12H2,1-3H3,(H,22,25)