1-(3-tert-butyl-1-propan-2-yl-pyrazol-4-yl)sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-(3-tert-butyl-1-propan-2-yl-pyrazol-4-yl)sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(3-tert-butyl-1-isopropyl-pyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-[(3-tert-butyl-1-propan-2-yl-4-pyrazolyl)sulfonyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-benzyl-4-(3-tert-butyl-1-isopropyl-pyrazol-4-yl)sulfonyl-piperazine Formula: C21H32N4O2S MolecularWeight: 404.56938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=N1)C(C)(C)C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C=C(C(=N1)C(C)(C)C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O2S/c1-17(2)25-16-19(20(22-25)21(3,4)5)28(26,27)24-13-11-23(12-14-24)15-18-9-7-6-8-10-18/h6-10,16-17H,11-15H2,1-5H3