2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(6-pyrrolidin-1-ylpyridin-3-yl)ethanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(6-pyrrolidin-1-ylpyridin-3-yl)ethanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(6-pyrrolidin-1-yl-3-pyridyl)acetamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[6-(1-pyrrolidinyl)-3-pyridinyl]acetamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(6-pyrrolidin-1-ylpyridin-3-yl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(6-pyrrolidino-3-pyridyl)acetamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CN=C(C=C1)N2CCCC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CN=C(C=C1)N2CCCC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O3S/c1-27(25,26)23(16-6-4-5-14(19)11-16)13-18(24)21-15-7-8-17(20-12-15)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,24)