2-chloranyl-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propyl-pyrrol-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propyl-pyrrol-2-yl]benzamide Openeye Name: 2-chloro-N-[4,5-dimethyl-1-propyl-3-(p-tolylsulfonyl)pyrrol-2-yl]benzamide CAS Name: 2-chloro-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propyl-2-pyrrolyl]benzamide IUPAC Name: 2-chloro-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propylpyrrol-2-yl]benzamide Traditional Name: 2-chloro-N-(4,5-dimethyl-1-propyl-3-tosyl-pyrrol-2-yl)benzamide Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C1NC(=O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCCN1C(=C(C(=C1NC(=O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C23H25ClN2O3S/c1-5-14-26-17(4)16(3)21(30(28,29)18-12-10-15(2)11-13-18)22(26)25-23(27)19-8-6-7-9-20(19)24/h6-13H,5,14H2,1-4H3,(H,25,27)