2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-17-12-18(2)14-21(13-17)25(29(3,27)28)16-22(26)23-15-19-6-8-20(9-7-19)24-10-4-5-11-24/h6-9,12-14H,4-5,10-11,15-16H2,1-3H3,(H,23,26)