N-[4-(5-cyano-1-methyl-pyrrol-2-yl)-3-(trifluoromethyl)phenyl]butane-1-sulfonamide

Systemtic Name: N-[4-(5-cyano-1-methyl-pyrrol-2-yl)-3-(trifluoromethyl)phenyl]butane-1-sulfonamide Openeye Name: N-[4-(5-cyano-1-methyl-pyrrol-2-yl)-3-(trifluoromethyl)phenyl]butane-1-sulfonamide CAS Name: N-[4-(5-cyano-1-methyl-2-pyrrolyl)-3-(trifluoromethyl)phenyl]-1-butanesulfonamide IUPAC Name: N-[4-(5-cyano-1-methylpyrrol-2-yl)-3-(trifluoromethyl)phenyl]butane-1-sulfonamide Traditional Name: N-[4-(5-cyano-1-methyl-pyrrol-2-yl)-3-(trifluoromethyl)phenyl]butane-1-sulfonamide Formula: C17H18F3N3O2S MolecularWeight: 385.40393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC(=C(C=C1)C2=CC=C(N2C)C#N)C(F)(F)F

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC(=C(C=C1)C2=CC=C(N2C)C#N)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2S/c1-3-4-9-26(24,25)22-12-5-7-14(15(10-12)17(18,19)20)16-8-6-13(11-21)23(16)2/h5-8,10,22H,3-4,9H2,1-2H3