N-[2-chloranyl-4-(4-thiophen-2-ylbutanoylamino)phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-chloranyl-4-(4-thiophen-2-ylbutanoylamino)phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-chloro-4-[4-(2-thienyl)butanoylamino]phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-chloro-4-[(1-oxo-4-thiophen-2-ylbutyl)amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-3-methylsulfonylbenzamide Traditional Name: N-[2-chloro-4-[4-(2-thienyl)butanoylamino]phenyl]-3-mesyl-benzamide Formula: C22H21ClN2O4S2 MolecularWeight: 476.99614

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCCC3=CC=CS3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCCC3=CC=CS3)Cl

InChI

InChI=1S/C22H21ClN2O4S2/c1-31(28,29)18-8-2-5-15(13-18)22(27)25-20-11-10-16(14-19(20)23)24-21(26)9-3-6-17-7-4-12-30-17/h2,4-5,7-8,10-14H,3,6,9H2,1H3,(H,24,26)(H,25,27)