[(3S)-1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(3-chloro-4-hydroxy-phenyl)methyl]-3-piperidyl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[(3-chloro-4-hydroxyphenyl)methyl]-3-piperidinyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-(3-chloro-4-hydroxy-benzyl)-3-piperidyl]-(3-methyl-2-thienyl)methanone Formula: C18H20ClNO2S MolecularWeight: 349.8749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CC(=C(C=C3)O)Cl

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCCN(C2)CC3=CC(=C(C=C3)O)Cl

InChI

InChI=1S/C18H20ClNO2S/c1-12-6-8-23-18(12)17(22)14-3-2-7-20(11-14)10-13-4-5-16(21)15(19)9-13/h4-6,8-9,14,21H,2-3,7,10-11H2,1H3/t14-/m0/s1