2-[(4-cyanophenyl)methylsulfonyl-methyl-amino]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfonyl-methyl-amino]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfonyl-methyl-amino]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-cyanobenzyl)sulfonyl-methyl-amino]-N-(3-methyl-4-pyrrolidino-phenyl)acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN(C)S(=O)(=O)CC2=CC=C(C=C2)C#N)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN(C)S(=O)(=O)CC2=CC=C(C=C2)C#N)N3CCCC3

InChI

InChI=1S/C22H26N4O3S/c1-17-13-20(9-10-21(17)26-11-3-4-12-26)24-22(27)15-25(2)30(28,29)16-19-7-5-18(14-23)6-8-19/h5-10,13H,3-4,11-12,15-16H2,1-2H3,(H,24,27)