3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-1-ethyl-6-pyrrolidin-1-ylsulfonyl-quinolin-4-one

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-1-ethyl-6-pyrrolidin-1-ylsulfonyl-quinolin-4-one Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-1-ethyl-6-pyrrolidin-1-ylsulfonyl-quinolin-4-one CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-1-ethyl-6-(1-pyrrolidinylsulfonyl)-4-quinolinone IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-ethyl-6-pyrrolidin-1-ylsulfonylquinolin-4-one Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-1-ethyl-6-pyrrolidinosulfonyl-4-quinolone Formula: C27H31ClN4O4S MolecularWeight: 543.07744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)Cl)C

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)Cl)C

InChI

InChI=1S/C27H31ClN4O4S/c1-3-29-18-23(27(34)31-14-12-30(13-15-31)25-16-20(28)7-6-19(25)2)26(33)22-17-21(8-9-24(22)29)37(35,36)32-10-4-5-11-32/h6-9,16-18H,3-5,10-15H2,1-2H3