N-[2-chloranyl-4-[[(E)-3-thiophen-3-ylprop-2-enoyl]amino]phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-chloranyl-4-[[(E)-3-thiophen-3-ylprop-2-enoyl]amino]phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-chloro-4-[[(E)-3-(3-thienyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-chloro-4-[[(E)-1-oxo-3-(3-thiophenyl)prop-2-enyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-chloro-4-[[(E)-3-thiophen-3-ylprop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide Traditional Name: N-[2-chloro-4-[[(E)-3-(3-thienyl)acryloyl]amino]phenyl]-3-mesyl-benzamide Formula: C21H17ClN2O4S2 MolecularWeight: 460.95368

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C=CC3=CSC=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)/C=C/C3=CSC=C3)Cl

InChI

InChI=1S/C21H17ClN2O4S2/c1-30(27,28)17-4-2-3-15(11-17)21(26)24-19-7-6-16(12-18(19)22)23-20(25)8-5-14-9-10-29-13-14/h2-13H,1H3,(H,23,25)(H,24,26)/b8-5+