(E)-3-(4-bromophenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-bromophenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-bromophenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(4-bromophenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-bromophenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-bromophenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C17H16BrNO4S2 MolecularWeight: 442.34724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C(=CC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC=C(C=C3)Br)/C(=O)O

InChI

InChI=1S/C17H16BrNO4S2/c18-13-5-3-12(4-6-13)11-14(17(20)21)15-7-8-16(24-15)25(22,23)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,20,21)/b14-11-