(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C29H30N2O6S MolecularWeight: 534.6233

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C29H30N2O6S/c1-29(2,3)23-10-12-24(13-11-23)37-28-17-7-21(20-26(28)31(33)34)6-16-27(32)22-8-14-25(15-9-22)38(35,36)30-18-4-5-19-30/h6-17,20H,4-5,18-19H2,1-3H3/b16-6+