N-[2-[(5-cyanopyridin-2-yl)amino]ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(5-cyanopyridin-2-yl)amino]ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(5-cyano-2-pyridyl)amino]ethyl]-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-[(5-cyanopyridin-2-yl)amino]ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(5-cyano-2-pyridyl)amino]ethyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCNC3=NC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCNC3=NC=C(C=C3)C#N

InChI

InChI=1S/C21H25N5O3S/c1-16-5-7-18(30(28,29)26-11-3-2-4-12-26)13-19(16)21(27)24-10-9-23-20-8-6-17(14-22)15-25-20/h5-8,13,15H,2-4,9-12H2,1H3,(H,23,25)(H,24,27)