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

Systemtic Name: (E)-3-(3-methylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(m-tolyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(3-methylphenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(3-methylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(m-tolyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCC3)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)O

InChI

InChI=1S/C18H19NO4S2/c1-13-5-4-6-14(11-13)12-15(18(20)21)16-7-8-17(24-16)25(22,23)19-9-2-3-10-19/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,21)/b15-12-