(4-pyrazol-1-ylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O5S/c1-31-22-12-9-20(17-23(22)33(29,30)26-14-4-2-3-5-15-26)24(28)32-18-19-7-10-21(11-8-19)27-16-6-13-25-27/h6-13,16-17H,2-5,14-15,18H2,1H3