4-(azepan-1-ylcarbonyl)-N-tert-butyl-1,2,5-trimethyl-N-(phenylmethyl)pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-tert-butyl-1,2,5-trimethyl-N-(phenylmethyl)pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-benzyl-N-tert-butyl-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-tert-butyl-1,2,5-trimethyl-N-(phenylmethyl)-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-benzyl-N-tert-butyl-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-benzyl-N-tert-butyl-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C25H37N3O3S MolecularWeight: 459.64458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)(C)C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)(C)C)C(=O)N3CCCCCC3

InChI

InChI=1S/C25H37N3O3S/c1-19-22(24(29)27-16-12-7-8-13-17-27)23(20(2)26(19)6)32(30,31)28(25(3,4)5)18-21-14-10-9-11-15-21/h9-11,14-15H,7-8,12-13,16-18H2,1-6H3