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

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-(4-pyrrolidinobenzyl)butyramide Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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