6-(azepan-1-ylsulfonyl)-N-(3-propan-2-yloxypropyl)-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-(3-propan-2-yloxypropyl)-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-(3-isopropoxypropyl)-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-(3-propan-2-yloxypropyl)-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-(3-propan-2-yloxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-(3-isopropoxypropyl)-2-(3-pyridyl)cinchoninamide Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CN=CC=C4

Isomeric SMILES

CC(C)OCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C27H34N4O4S/c1-20(2)35-16-8-13-29-27(32)24-18-26(21-9-7-12-28-19-21)30-25-11-10-22(17-23(24)25)36(33,34)31-14-5-3-4-6-15-31/h7,9-12,17-20H,3-6,8,13-16H2,1-2H3,(H,29,32)