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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(3,4-dimethoxy-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-3,4-dimethoxy-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C)OC

InChI

InChI=1S/C22H29N3O5S/c1-29-20-11-10-19(14-21(20)30-2)25(31(3,27)28)16-22(26)23-15-17-6-8-18(9-7-17)24-12-4-5-13-24/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,23,26)