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

Systemtic Name: [4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-piperidin-1-yl-methanone Openeye Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(1-piperidyl)methanone CAS Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-piperidin-1-ylmethanone Traditional Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-piperidino-methanone Formula: C21H23ClN2O3S MolecularWeight: 418.93692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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