2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(2,6-dimethyl-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-2,6-dimethyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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