[1-(phenylmethyl)pyrazol-4-yl]methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [1-(phenylmethyl)pyrazol-4-yl]methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (1-benzylpyrazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [1-(phenylmethyl)-4-pyrazolyl]methyl ester IUPAC Name: (1-benzylpyrazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (1-benzylpyrazol-4-yl)methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O5S/c1-32-23-12-11-22(15-24(23)34(30,31)28-13-7-2-3-8-14-28)25(29)33-19-21-16-26-27(18-21)17-20-9-5-4-6-10-20/h4-6,9-12,15-16,18H,2-3,7-8,13-14,17,19H2,1H3