1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-4-(4-methoxyphenyl)piperazine

Systemtic Name: 1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-4-(4-methoxyphenyl)piperazine Openeye Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-4-(4-methoxyphenyl)piperazine CAS Name: 1-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonyl-4-(4-methoxyphenyl)piperazine Traditional Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-4-(4-methoxyphenyl)piperazine Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3S/c1-25(2,3)24-23(19-28(26-24)18-20-8-6-5-7-9-20)33(30,31)29-16-14-27(15-17-29)21-10-12-22(32-4)13-11-21/h5-13,19H,14-18H2,1-4H3