N-isoquinolin-5-yl-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-isoquinolin-5-yl-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-isoquinolyl)-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(5-isoquinolinyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-isoquinolin-5-yl-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(5-isoquinolyl)-4-methyl-3-piperidinosulfonyl-benzamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23N3O3S/c1-16-8-9-17(14-21(16)29(27,28)25-12-3-2-4-13-25)22(26)24-20-7-5-6-18-15-23-11-10-19(18)20/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26)