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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(3-pyridyl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-2-(3-pyridinyl)-N-[2-(1-pyrrolidinyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(3-pyridyl)-N-(2-pyrrolidinoethyl)cinchoninamide Formula: C27H33N5O3S MolecularWeight: 507.64762

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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)NCCN4CCCC4)C5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)NCCN4CCCC4)C5=CN=CC=C5

InChI

InChI=1S/C27H33N5O3S/c33-27(29-12-17-31-13-5-6-14-31)24-19-26(21-8-7-11-28-20-21)30-25-10-9-22(18-23(24)25)36(34,35)32-15-3-1-2-4-16-32/h7-11,18-20H,1-6,12-17H2,(H,29,33)