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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-phenethyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-phenethyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-phenethyl-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-phenethyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-phenethyl-2-(3-pyridyl)cinchoninamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCCC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCCC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C29H30N4O3S/c34-29(31-16-14-22-9-4-3-5-10-22)26-20-28(23-11-8-15-30-21-23)32-27-13-12-24(19-25(26)27)37(35,36)33-17-6-1-2-7-18-33/h3-5,8-13,15,19-21H,1-2,6-7,14,16-18H2,(H,31,34)