1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-diethyl-ethanamine

Systemtic Name: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-diethyl-ethanamine Openeye Name: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-diethyl-ethanamine CAS Name: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-diethylethanamine IUPAC Name: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-diethylethanamine Traditional Name: 1-[4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]phenyl]sulfonylethyl-diethyl-amine Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)S(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)C(C)S(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O2S/c1-4-24(5-2)16(3)28(26,27)20-12-10-19(11-13-20)25-15-14-21(23-25)17-6-8-18(22)9-7-17/h6-13,16H,4-5,14-15H2,1-3H3