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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-N-(phenylmethyl)pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-benzyl-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-1,2,5-trimethyl-N-(phenylmethyl)-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-benzyl-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-benzyl-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-16-19(21(25)24-13-9-4-5-10-14-24)20(17(2)23(16)3)28(26,27)22-15-18-11-7-6-8-12-18/h6-8,11-12,22H,4-5,9-10,13-15H2,1-3H3