(1,3-diphenylpyrazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c31-27(22-13-15-25(16-14-22)35(32,33)29-17-7-8-18-29)34-20-23-19-30(24-11-5-2-6-12-24)28-26(23)21-9-3-1-4-10-21/h1-6,9-16,19H,7-8,17-18,20H2