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

Systemtic Name: 3-[[4-(2-azanylethyl)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl benzoate Openeye Name: 3-[[4-(2-aminoethyl)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl benzoate CAS Name: benzoic acid 3-[[4-(2-aminoethyl)phenyl]sulfonyl-(2-phenyl-3-pyrazolyl)amino]propyl ester IUPAC Name: 3-[[4-(2-aminoethyl)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl benzoate Traditional Name: benzoic acid 3-[[4-(2-aminoethyl)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl ester Formula: C27H28N4O4S MolecularWeight: 504.60062

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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)CCN

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4S/c28-18-16-22-12-14-25(15-13-22)36(33,34)30(20-7-21-35-27(32)23-8-3-1-4-9-23)26-17-19-29-31(26)24-10-5-2-6-11-24/h1-6,8-15,17,19H,7,16,18,20-21,28H2