(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [2-chloro-5-(1-piperidylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (2-chloro-5-piperidinosulfonyl-phenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23ClN2O3S/c22-20-9-8-18(28(26,27)24-11-4-1-5-12-24)14-19(20)21(25)23-13-10-16-6-2-3-7-17(16)15-23/h2-3,6-9,14H,1,4-5,10-13,15H2