3-tert-butyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: 3-tert-butyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-4-sulfonamide Formula: C28H28N4O2S2 MolecularWeight: 516.67752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CN(N=C4C(C)(C)C)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CN(N=C4C(C)(C)C)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S2/c1-19-10-15-23-24(16-19)35-27(29-23)21-11-13-22(14-12-21)31-36(33,34)25-18-32(30-26(25)28(2,3)4)17-20-8-6-5-7-9-20/h5-16,18,31H,17H2,1-4H3