N-[[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methyl-piperidin-2-yl]methyl]isoquinoline-7-carboxamide

Systemtic Name: N-[[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methyl-piperidin-2-yl]methyl]isoquinoline-7-carboxamide Openeye Name: N-[[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methyl-2-piperidyl]methyl]isoquinoline-7-carboxamide CAS Name: N-[[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methyl-2-piperidinyl]methyl]-7-isoquinolinecarboxamide IUPAC Name: N-[[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl]isoquinoline-7-carboxamide Traditional Name: N-[[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methyl-2-piperidyl]methyl]isoquinoline-7-carboxamide Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)CNC(=O)C3=CC4=C(C=C3)C=CN=C4

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)Cl)CNC(=O)C3=CC4=C(C=C3)C=CN=C4

InChI

InChI=1S/C23H24ClN3O3S/c1-16-3-2-4-21(27(16)31(29,30)22-9-7-20(24)8-10-22)15-26-23(28)18-6-5-17-11-12-25-14-19(17)13-18/h5-14,16,21H,2-4,15H2,1H3,(H,26,28)/t16-,21-/m1/s1