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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-N-(3-methylsulfanylphenyl)pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-(3-methylsulfanylphenyl)pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-1,2,5-trimethyl-N-[3-(methylthio)phenyl]-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-(3-methylsulfanylphenyl)pyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[3-(methylthio)phenyl]pyrrole-3-sulfonamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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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)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC(=CC=C2)SC)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N3O3S2/c1-15-19(21(25)24-12-7-5-6-8-13-24)20(16(2)23(15)3)29(26,27)22-17-10-9-11-18(14-17)28-4/h9-11,14,22H,5-8,12-13H2,1-4H3