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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide CAS Name: N-[(3-methoxyphenyl)methyl]-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide Traditional Name: N-m-anisyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butyramide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N3O4S2/c1-13(2)20(21(25)22-12-15-6-5-7-16(10-15)28-4)24-30(26,27)17-8-9-18-19(11-17)29-14(3)23-18/h5-11,13,20,24H,12H2,1-4H3,(H,22,25)