N-[4-(hexanoylamino)-2-methyl-phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[4-(hexanoylamino)-2-methyl-phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[4-(hexanoylamino)-2-methyl-phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-methyl-4-(1-oxohexylamino)phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[4-(hexanoylamino)-2-methylphenyl]-3-methylsulfonylbenzamide Traditional Name: N-[4-(caproylamino)-2-methyl-phenyl]-3-mesyl-benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CCCCCC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C21H26N2O4S/c1-4-5-6-10-20(24)22-17-11-12-19(15(2)13-17)23-21(25)16-8-7-9-18(14-16)28(3,26)27/h7-9,11-14H,4-6,10H2,1-3H3,(H,22,24)(H,23,25)