[2-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [2-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [2-chloro-5-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [2-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [2-chloro-5-(4-methylpiperidino)sulfonyl-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H25ClN2O3S MolecularWeight: 432.9635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25ClN2O3S/c1-16-8-12-25(13-9-16)29(27,28)19-6-7-21(23)20(14-19)22(26)24-11-10-17-4-2-3-5-18(17)15-24/h2-7,14,16H,8-13,15H2,1H3