3-[[4-(3-azanylpropyl)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl benzoate

Systemtic Name: 3-[[4-(3-azanylpropyl)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl benzoate Openeye Name: 3-[[4-(3-aminopropyl)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl benzoate CAS Name: benzoic acid 3-[[4-(3-aminopropyl)phenyl]sulfonyl-(2-phenyl-3-pyrazolyl)amino]propyl ester IUPAC Name: 3-[[4-(3-aminopropyl)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl benzoate Traditional Name: benzoic acid 3-[[4-(3-aminopropyl)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl ester Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCN(C2=CC=NN2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)CCCN

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCN(C2=CC=NN2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)CCCN

InChI

InChI=1S/C28H30N4O4S/c29-19-7-9-23-14-16-26(17-15-23)37(34,35)31(21-8-22-36-28(33)24-10-3-1-4-11-24)27-18-20-30-32(27)25-12-5-2-6-13-25/h1-6,10-18,20H,7-9,19,21-22,29H2