(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[4-(4-methylpiperazin-1-yl)carbonylphenyl]sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[4-(4-methylpiperazin-1-yl)carbonylphenyl]sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfonyl-acrylonitrile Formula: C29H37N3O4S MolecularWeight: 523.68678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C29H37N3O4S/c1-28(2,3)24-17-20(18-25(26(24)33)29(4,5)6)16-23(19-30)37(35,36)22-10-8-21(9-11-22)27(34)32-14-12-31(7)13-15-32/h8-11,16-18,33H,12-15H2,1-7H3/b23-16+