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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

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