4-(2-azanylethyl)-N-(3-oxidanylpropyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

Systemtic Name: 4-(2-azanylethyl)-N-(3-oxidanylpropyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide Openeye Name: 4-(2-aminoethyl)-N-(3-hydroxypropyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide CAS Name: 4-(2-aminoethyl)-N-(3-hydroxypropyl)-N-(2-phenyl-3-pyrazolyl)benzenesulfonamide IUPAC Name: 4-(2-aminoethyl)-N-(3-hydroxypropyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide Traditional Name: 4-(2-aminoethyl)-N-(3-hydroxypropyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC=N2)N(CCCO)S(=O)(=O)C3=CC=C(C=C3)CCN

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC=N2)N(CCCO)S(=O)(=O)C3=CC=C(C=C3)CCN

InChI

InChI=1S/C20H24N4O3S/c21-13-11-17-7-9-19(10-8-17)28(26,27)23(15-4-16-25)20-12-14-22-24(20)18-5-2-1-3-6-18/h1-3,5-10,12,14,25H,4,11,13,15-16,21H2