(E)-3-(4-methoxy-3-methyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-methoxy-3-methyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-methoxy-3-methyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(4-methoxy-3-methylphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methoxy-3-methylphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-methoxy-3-methyl-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C21H23NO4S/c1-16-15-17(6-12-21(16)26-2)5-11-20(23)18-7-9-19(10-8-18)27(24,25)22-13-3-4-14-22/h5-12,15H,3-4,13-14H2,1-2H3/b11-5+