azepan-1-yl-[3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1H-pyrazol-5-yl]methanone

Systemtic Name: azepan-1-yl-[3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1H-pyrazol-5-yl]methanone Openeye Name: azepan-1-yl-[3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-1H-pyrazol-5-yl]methanone CAS Name: 1-azepanyl-[3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-5-yl]methanone IUPAC Name: azepan-1-yl-[3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazol-5-yl]methanone Traditional Name: azepan-1-yl-[3-(4-methoxy-3-piperidinosulfonyl-phenyl)-1H-pyrazol-5-yl]methanone Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N3CCCCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N3CCCCCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H30N4O4S/c1-30-20-10-9-17(15-21(20)31(28,29)26-13-7-4-8-14-26)18-16-19(24-23-18)22(27)25-11-5-2-3-6-12-25/h9-10,15-16H,2-8,11-14H2,1H3,(H,23,24)