N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-5-(1-azepanylsulfonyl)-2-methoxybenzamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCCC3=C(C(=NN3)N)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C21H28N6O4S/c1-31-19-9-8-15(32(29,30)27-11-4-2-3-5-12-27)13-16(19)21(28)24-10-6-7-18-17(14-22)20(23)26-25-18/h8-9,13H,2-7,10-12H2,1H3,(H,24,28)(H3,23,25,26)