[2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-(6-methoxy-2-naphthyl)quinoline-4-carboxylate CAS Name: 2-(6-methoxy-2-naphthalenyl)-4-quinolinecarboxylic acid [2-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(6-methoxy-2-naphthyl)cinchoninic acid [2-keto-2-(5-morpholinosulfonyl-2-pyrrolidino-anilino)ethyl] ester Formula: C37H36N4O7S MolecularWeight: 680.76934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=C(C=CC(=C5)S(=O)(=O)N6CCOCC6)N7CCCC7

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=C(C=CC(=C5)S(=O)(=O)N6CCOCC6)N7CCCC7

InChI

InChI=1S/C37H36N4O7S/c1-46-28-11-10-25-20-27(9-8-26(25)21-28)33-23-31(30-6-2-3-7-32(30)38-33)37(43)48-24-36(42)39-34-22-29(12-13-35(34)40-14-4-5-15-40)49(44,45)41-16-18-47-19-17-41/h2-3,6-13,20-23H,4-5,14-19,24H2,1H3,(H,39,42)