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

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)propionamide Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S2/c1-16-7-9-18(10-8-16)25(32(4,27)28)17(2)22(26)23-20-15-19(11-12-21(20)31-3)33(29,30)24-13-5-6-14-24/h7-12,15,17H,5-6,13-14H2,1-4H3,(H,23,26)