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

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-1-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-4-one Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-1-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-4-one CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-1-methyl-6-(1-pyrrolidinylsulfonyl)-4-quinolinone IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-methyl-6-pyrrolidin-1-ylsulfonylquinolin-4-one Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-1-methyl-6-pyrrolidinosulfonyl-4-quinolone Formula: C26H29ClN4O4S MolecularWeight: 529.05086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN(C4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN(C4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCCC5)C

InChI

InChI=1S/C26H29ClN4O4S/c1-18-5-6-19(27)15-24(18)29-11-13-30(14-12-29)26(33)22-17-28(2)23-8-7-20(16-21(23)25(22)32)36(34,35)31-9-3-4-10-31/h5-8,15-17H,3-4,9-14H2,1-2H3