2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(2,6-dimethyl-N-methylsulfonyl-anilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(N-mesyl-2,6-dimethyl-anilino)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O5S2/c1-16-7-6-8-17(2)21(16)24(30(3,26)27)15-20(25)22-18-9-11-19(12-10-18)31(28,29)23-13-4-5-14-23/h6-12H,4-5,13-15H2,1-3H3,(H,22,25)