[(3S)-1-(5-chloranyl-2-ethoxy-phenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [(3S)-1-(5-chloranyl-2-ethoxy-phenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [(3S)-1-(5-chloro-2-ethoxy-phenyl)sulfonyl-3-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [(3S)-1-(5-chloro-2-ethoxy-phenyl)sulfonyl-3-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C23H27ClN2O4S MolecularWeight: 462.98948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H27ClN2O4S/c1-2-30-21-10-9-20(24)14-22(21)31(28,29)26-12-5-8-19(16-26)23(27)25-13-11-17-6-3-4-7-18(17)15-25/h3-4,6-7,9-10,14,19H,2,5,8,11-13,15-16H2,1H3/t19-/m0/s1