1-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-4-[3-(dimethylaminomethyl)phenyl]butane-1,4-dione

Systemtic Name: 1-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-4-[3-(dimethylaminomethyl)phenyl]butane-1,4-dione Openeye Name: 1-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-4-[3-(dimethylaminomethyl)phenyl]butane-1,4-dione CAS Name: 1-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-4-[3-(dimethylaminomethyl)phenyl]butane-1,4-dione IUPAC Name: 1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-4-[3-(dimethylaminomethyl)phenyl]butane-1,4-dione Traditional Name: 1-(2-chloro-5-piperidinosulfonyl-phenyl)-4-[3-(dimethylaminomethyl)phenyl]butane-1,4-dione Formula: C24H29ClN2O4S MolecularWeight: 477.01606

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC(=C1)C(=O)CCC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CN(C)CC1=CC=CC(=C1)C(=O)CCC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C24H29ClN2O4S/c1-26(2)17-18-7-6-8-19(15-18)23(28)11-12-24(29)21-16-20(9-10-22(21)25)32(30,31)27-13-4-3-5-14-27/h6-10,15-16H,3-5,11-14,17H2,1-2H3