(4-pyrazol-1-ylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H25N3O4S/c27-23(30-18-19-6-10-21(11-7-19)26-17-5-14-24-26)20-8-12-22(13-9-20)31(28,29)25-15-3-1-2-4-16-25/h5-14,17H,1-4,15-16,18H2