2-dimethylaminoethyl (E)-3-[5-[2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]thiophen-2-yl]prop-2-enoate

Systemtic Name: 2-dimethylaminoethyl (E)-3-[5-[2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]thiophen-2-yl]prop-2-enoate Openeye Name: 2-dimethylaminoethyl (E)-3-[5-[2-(4-sulfamoylanilino)pyrimidin-4-yl]-2-thienyl]prop-2-enoate CAS Name: (E)-3-[5-[2-(4-sulfamoylanilino)-4-pyrimidinyl]-2-thiophenyl]-2-propenoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl (E)-3-[5-[2-(4-sulfamoylanilino)pyrimidin-4-yl]thiophen-2-yl]prop-2-enoate Traditional Name: (E)-3-[5-[2-(4-sulfamoylanilino)pyrimidin-4-yl]-2-thienyl]acrylic acid 2-dimethylaminoethyl ester Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C=CC1=CC=C(S1)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN(C)CCOC(=O)/C=C/C1=CC=C(S1)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H23N5O4S2/c1-26(2)13-14-30-20(27)10-6-16-5-9-19(31-16)18-11-12-23-21(25-18)24-15-3-7-17(8-4-15)32(22,28)29/h3-12H,13-14H2,1-2H3,(H2,22,28,29)(H,23,24,25)/b10-6+