N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(pyrazol-1-ylmethyl)benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(pyrazol-1-ylmethyl)benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(pyrazol-1-ylmethyl)benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(1-pyrazolylmethyl)benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(pyrazol-1-ylmethyl)benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(pyrazol-1-ylmethyl)benzamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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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(C=C3)CN4C=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-32-23-12-11-21(33(30,31)28-15-4-2-3-5-16-28)17-22(23)26-24(29)20-9-7-19(8-10-20)18-27-14-6-13-25-27/h6-14,17H,2-5,15-16,18H2,1H3,(H,26,29)