2-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[methyl(p-tolylsulfonyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[methyl(tosyl)amino]-N-[4-(pyrrolidinomethyl)benzyl]acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C22H29N3O3S/c1-18-5-11-21(12-6-18)29(27,28)24(2)17-22(26)23-15-19-7-9-20(10-8-19)16-25-13-3-4-14-25/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)