(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-isopentyloxy-3-methoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-isoamoxy-3-methoxy-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C25H31NO5S/c1-19(2)14-17-31-24-13-7-20(18-25(24)30-3)6-12-23(27)21-8-10-22(11-9-21)32(28,29)26-15-4-5-16-26/h6-13,18-19H,4-5,14-17H2,1-3H3/b12-6+