4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S2/c1-18-8-9-19(2)22(17-18)26(32(3,28)29)16-6-7-23(27)24-20-10-12-21(13-11-20)33(30,31)25-14-4-5-15-25/h8-13,17H,4-7,14-16H2,1-3H3,(H,24,27)