1,2,5-trimethyl-N-(3-methylsulfanylphenyl)-4-piperidin-1-ylcarbonyl-pyrrole-3-sulfonamide

Systemtic Name: 1,2,5-trimethyl-N-(3-methylsulfanylphenyl)-4-piperidin-1-ylcarbonyl-pyrrole-3-sulfonamide Openeye Name: 1,2,5-trimethyl-N-(3-methylsulfanylphenyl)-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide CAS Name: 1,2,5-trimethyl-N-[3-(methylthio)phenyl]-4-[oxo(1-piperidinyl)methyl]-3-pyrrolesulfonamide IUPAC Name: 1,2,5-trimethyl-N-(3-methylsulfanylphenyl)-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide Traditional Name: 1,2,5-trimethyl-N-[3-(methylthio)phenyl]-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=CC=C2)SC)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=CC=C2)SC)C(=O)N3CCCCC3

InChI

InChI=1S/C20H27N3O3S2/c1-14-18(20(24)23-11-6-5-7-12-23)19(15(2)22(14)3)28(25,26)21-16-9-8-10-17(13-16)27-4/h8-10,13,21H,5-7,11-12H2,1-4H3