N-(3-methylsulfanylphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-4-(1-piperidylsulfonyl)-1H-pyrrole-2-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-(1-piperidinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-4-piperidinosulfonyl-1H-pyrrole-2-carboxamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H21N3O3S2/c1-24-14-7-5-6-13(10-14)19-17(21)16-11-15(12-18-16)25(22,23)20-8-3-2-4-9-20/h5-7,10-12,18H,2-4,8-9H2,1H3,(H,19,21)