N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-5-(1-pyrazolylmethyl)-2-furancarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-(pyrazol-1-ylmethyl)-2-furamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=C(O3)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=C(O3)CN4C=CC=N4

InChI

InChI=1S/C22H26N4O5S/c1-30-20-10-8-18(32(28,29)26-13-4-2-3-5-14-26)15-19(20)24-22(27)21-9-7-17(31-21)16-25-12-6-11-23-25/h6-12,15H,2-5,13-14,16H2,1H3,(H,24,27)