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

Systemtic Name: 4-(3-azanylpropyl)-N-(3-oxidanylpropyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide Openeye Name: 4-(3-aminopropyl)-N-(3-hydroxypropyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide CAS Name: 4-(3-aminopropyl)-N-(3-hydroxypropyl)-N-(2-phenyl-3-pyrazolyl)benzenesulfonamide IUPAC Name: 4-(3-aminopropyl)-N-(3-hydroxypropyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide Traditional Name: 4-(3-aminopropyl)-N-(3-hydroxypropyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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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)CCCN

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c22-14-4-6-18-9-11-20(12-10-18)29(27,28)24(16-5-17-26)21-13-15-23-25(21)19-7-2-1-3-8-19/h1-3,7-13,15,26H,4-6,14,16-17,22H2