3,4-diethoxy-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]benzenesulfonamide

Systemtic Name: 3,4-diethoxy-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3,4-diethoxy-benzenesulfonamide CAS Name: 3,4-diethoxy-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-diethoxybenzenesulfonamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3,4-diethoxy-benzenesulfonamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)OCC

InChI

InChI=1S/C27H29N3O4S/c1-3-33-25-16-15-24(17-26(25)34-4-2)35(31,32)28-18-23-20-30(19-21-11-7-5-8-12-21)29-27(23)22-13-9-6-10-14-22/h5-17,20,28H,3-4,18-19H2,1-2H3