2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)propionamide Formula: C23H31N3O6S2 MolecularWeight: 509.63874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O6S2/c1-16-8-9-19(14-17(16)2)26(33(5,28)29)18(3)23(27)24-21-15-20(10-11-22(21)32-4)34(30,31)25-12-6-7-13-25/h8-11,14-15,18H,6-7,12-13H2,1-5H3,(H,24,27)