3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-1-prop-2-enyl-6-pyrrolidin-1-ylsulfonyl-quinolin-4-one

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-1-prop-2-enyl-6-pyrrolidin-1-ylsulfonyl-quinolin-4-one Openeye Name: 1-allyl-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-pyrrolidin-1-ylsulfonyl-quinolin-4-one CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-1-prop-2-enyl-6-(1-pyrrolidinylsulfonyl)-4-quinolinone IUPAC Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-prop-2-enyl-6-pyrrolidin-1-ylsulfonylquinolin-4-one Traditional Name: 1-allyl-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-pyrrolidinosulfonyl-4-quinolone Formula: C27H29ClN4O4S MolecularWeight: 541.06156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4O4S/c1-2-10-31-19-24(27(34)30-15-13-29(14-16-30)21-7-5-6-20(28)17-21)26(33)23-18-22(8-9-25(23)31)37(35,36)32-11-3-4-12-32/h2,5-9,17-19H,1,3-4,10-16H2