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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-pyrrolidin-1-ylpyridin-3-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-pyrrolidin-1-yl-3-pyridyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[6-(1-pyrrolidinyl)-3-pyridinyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-pyrrolidin-1-ylpyridin-3-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-pyrrolidino-3-pyridyl)benzamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H30N4O4S/c1-31-20-10-8-18(16-21(20)32(29,30)27-14-4-2-3-5-15-27)23(28)25-19-9-11-22(24-17-19)26-12-6-7-13-26/h8-11,16-17H,2-7,12-15H2,1H3,(H,25,28)