1-[4-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperidin-4-yl]piperidin-1-yl]-2-methyl-pentan-1-one

Systemtic Name: 1-[4-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperidin-4-yl]piperidin-1-yl]-2-methyl-pentan-1-one Openeye Name: 1-[4-[1-(3-chlorobenzothiophene-2-carbonyl)-4-piperidyl]-1-piperidyl]-2-methyl-pentan-1-one CAS Name: 1-[4-[1-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-4-piperidinyl]-1-piperidinyl]-2-methyl-1-pentanone IUPAC Name: 1-[4-[1-(3-chloro-1-benzothiophene-2-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-methylpentan-1-one Traditional Name: 1-[4-[1-(3-chlorobenzothiophene-2-carbonyl)-4-piperidyl]piperidino]-2-methyl-pentan-1-one Formula: C25H33ClN2O2S MolecularWeight: 461.05972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)N1CCC(CC1)C2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCC(C)C(=O)N1CCC(CC1)C2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C25H33ClN2O2S/c1-3-6-17(2)24(29)27-13-9-18(10-14-27)19-11-15-28(16-12-19)25(30)23-22(26)20-7-4-5-8-21(20)31-23/h4-5,7-8,17-19H,3,6,9-16H2,1-2H3