N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-3-pyrrol-1-yl-thiophene-2-carboxamide

Systemtic Name: N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-3-pyrrol-1-yl-thiophene-2-carboxamide Openeye Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-yl-thiophene-2-carboxamide CAS Name: N-[3-chloro-4-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide IUPAC Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide Traditional Name: N-[3-chloro-4-[(3-mesylbenzoyl)amino]phenyl]-3-pyrrol-1-yl-thiophene-2-carboxamide Formula: C23H18ClN3O4S2 MolecularWeight: 499.98972

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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)C3=C(C=CS3)N4C=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=C(C=CS3)N4C=CC=C4)Cl

InChI

InChI=1S/C23H18ClN3O4S2/c1-33(30,31)17-6-4-5-15(13-17)22(28)26-19-8-7-16(14-18(19)24)25-23(29)21-20(9-12-32-21)27-10-2-3-11-27/h2-14H,1H3,(H,25,29)(H,26,28)