3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: 3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: 3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: 3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: 3-(5-cyano-1,2-dimethylpyrrol-3-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: 3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1C)C#N)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCCC3)C(=O)O

InChI

InChI=1S/C19H21N3O4S2/c1-13-14(10-15(12-20)21(13)2)11-16(19(23)24)17-6-7-18(27-17)28(25,26)22-8-4-3-5-9-22/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,23,24)