N-[4-(diethylamino)-2-methyl-phenyl]-3-(4-methylsulfonylphenyl)sulfonyl-propanamide

Systemtic Name: N-[4-(diethylamino)-2-methyl-phenyl]-3-(4-methylsulfonylphenyl)sulfonyl-propanamide Openeye Name: N-[4-(diethylamino)-2-methyl-phenyl]-3-(4-methylsulfonylphenyl)sulfonyl-propanamide CAS Name: N-[4-(diethylamino)-2-methylphenyl]-3-(4-methylsulfonylphenyl)sulfonylpropanamide IUPAC Name: N-[4-(diethylamino)-2-methylphenyl]-3-(4-methylsulfonylphenyl)sulfonylpropanamide Traditional Name: N-[4-(diethylamino)-2-methyl-phenyl]-3-(4-mesylphenyl)sulfonyl-propionamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C21H28N2O5S2/c1-5-23(6-2)17-7-12-20(16(3)15-17)22-21(24)13-14-30(27,28)19-10-8-18(9-11-19)29(4,25)26/h7-12,15H,5-6,13-14H2,1-4H3,(H,22,24)