1-isoquinolin-5-ylsulfonyl-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-isoquinolin-5-ylsulfonyl-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(5-isoquinolylsulfonyl)-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-(5-isoquinolinylsulfonyl)-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-isoquinolin-5-ylsulfonyl-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(5-isoquinolylsulfonyl)-4-phenyl-isonipecotonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H19N3O2S/c22-16-21(18-6-2-1-3-7-18)10-13-24(14-11-21)27(25,26)20-8-4-5-17-15-23-12-9-19(17)20/h1-9,12,15H,10-11,13-14H2