3-(2-ethylbutanoylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-(2-ethylbutanoylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(2-ethylbutanoylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-[(2-ethyl-1-oxobutyl)amino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(2-ethylbutanoylamino)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(2-ethylbutanoylamino)-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O4S2/c1-4-13(5-2)19(25)22-15-8-6-7-14(11-15)20(26)24-21-23-17-10-9-16(30(3,27)28)12-18(17)29-21/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,24,26)