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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-N-phenyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-phenyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-1,2,5-trimethyl-N-phenyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-phenylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-phenyl-pyrrole-3-sulfonamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-15-18(20(24)23-13-9-4-5-10-14-23)19(16(2)22(15)3)27(25,26)21-17-11-7-6-8-12-17/h6-8,11-12,21H,4-5,9-10,13-14H2,1-3H3