N-[4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]quinoline-4-carboxamide Openeye Name: N-[3-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]quinoline-4-carboxamide CAS Name: N-[4-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]pentan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[4-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]pentan-2-yl]quinoline-4-carboxamide Traditional Name: N-[1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]cinchoninamide Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C27H31N5O5S/c1-18(2)16-23(31-26(34)20-12-14-28-21-9-4-3-8-19(20)21)27(35)30-22-10-7-15-32(17-24(22)33)38(36,37)25-11-5-6-13-29-25/h3-6,8-9,11-14,18,22-23H,7,10,15-17H2,1-2H3,(H,30,35)(H,31,34)