3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-pyrrolidin-1-yl-3-pyridyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[6-(1-pyrrolidinyl)-3-pyridinyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-pyrrolidin-1-ylpyridin-3-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-pyrrolidino-3-pyridyl)benzamide Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=C(C=C3)N4CCCC4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CN=C(C=C3)N4CCCC4)Cl

InChI

InChI=1S/C22H27ClN4O3S/c23-19-9-7-17(15-20(19)31(29,30)27-13-3-1-2-4-14-27)22(28)25-18-8-10-21(24-16-18)26-11-5-6-12-26/h7-10,15-16H,1-6,11-14H2,(H,25,28)