[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [1-(3-chloro-4-methoxy-phenyl)sulfonyl-3-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-(3-chloro-4-methoxyphenyl)sulfonyl-3-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-(3-chloro-4-methoxy-phenyl)sulfonyl-3-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C22H25ClN2O4S/c1-29-21-9-8-19(13-20(21)23)30(27,28)25-11-4-7-18(15-25)22(26)24-12-10-16-5-2-3-6-17(16)14-24/h2-3,5-6,8-9,13,18H,4,7,10-12,14-15H2,1H3