4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Traditional Name: 4-(N-mesyl-3,4-dimethyl-anilino)-N-(4-pyrrolidinobenzyl)butyramide Formula: C24H33N3O3S MolecularWeight: 443.60212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C24H33N3O3S/c1-19-8-11-23(17-20(19)2)27(31(3,29)30)16-6-7-24(28)25-18-21-9-12-22(13-10-21)26-14-4-5-15-26/h8-13,17H,4-7,14-16,18H2,1-3H3,(H,25,28)