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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-(3-pyridylmethyl)pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-1,2,5-trimethyl-N-(3-pyridinylmethyl)-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-(3-pyridylmethyl)pyrrole-3-sulfonamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CN=CC=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CN=CC=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H28N4O3S/c1-15-18(20(25)24-11-6-4-5-7-12-24)19(16(2)23(15)3)28(26,27)22-14-17-9-8-10-21-13-17/h8-10,13,22H,4-7,11-12,14H2,1-3H3