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

Systemtic Name: N-cyclooctyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide Openeye Name: N-cyclooctyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide CAS Name: N-cyclooctyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide IUPAC Name: N-cyclooctyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide Traditional Name: N-cyclooctyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butyramide Formula: C21H31N3O3S2 MolecularWeight: 437.61914

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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)NC3CCCCCCC3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NC3CCCCCCC3

InChI

InChI=1S/C21H31N3O3S2/c1-14(2)20(21(25)23-16-9-7-5-4-6-8-10-16)24-29(26,27)17-11-12-18-19(13-17)28-15(3)22-18/h11-14,16,20,24H,4-10H2,1-3H3,(H,23,25)