5-chloranyl-2-[(E)-3-[2-(4-methylphenyl)carbonylpyrrol-1-yl]prop-1-enyl]-N-methylsulfonyl-benzamide

Systemtic Name: 5-chloranyl-2-[(E)-3-[2-(4-methylphenyl)carbonylpyrrol-1-yl]prop-1-enyl]-N-methylsulfonyl-benzamide Openeye Name: 5-chloro-2-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]-N-methylsulfonyl-benzamide CAS Name: 5-chloro-2-[(E)-3-[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]prop-1-enyl]-N-methylsulfonylbenzamide IUPAC Name: 5-chloro-2-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]-N-methylsulfonylbenzamide Traditional Name: 5-chloro-N-mesyl-2-[(E)-3-(2-p-toluoylpyrrol-1-yl)prop-1-enyl]benzamide Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC=CC3=C(C=C(C=C3)Cl)C(=O)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2C/C=C/C3=C(C=C(C=C3)Cl)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C23H21ClN2O4S/c1-16-7-9-18(10-8-16)22(27)21-6-4-14-26(21)13-3-5-17-11-12-19(24)15-20(17)23(28)25-31(2,29)30/h3-12,14-15H,13H2,1-2H3,(H,25,28)/b5-3+