3-(2-cyano-4-methyl-phenyl)-N-[(6-methylpyridin-3-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-(2-cyano-4-methyl-phenyl)-N-[(6-methylpyridin-3-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(2-cyano-4-methyl-phenyl)-N-[(6-methyl-3-pyridyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(2-cyano-4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(2-cyano-4-methylphenyl)-N-[(6-methylpyridin-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-(2-cyano-4-methyl-phenyl)-N-[(6-methyl-3-pyridyl)methyl]-5-pyrrolidinosulfonyl-benzamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CN=C(C=C4)C)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CN=C(C=C4)C)C#N

InChI

InChI=1S/C26H26N4O3S/c1-18-5-8-25(23(11-18)15-27)21-12-22(26(31)29-17-20-7-6-19(2)28-16-20)14-24(13-21)34(32,33)30-9-3-4-10-30/h5-8,11-14,16H,3-4,9-10,17H2,1-2H3,(H,29,31)