4-(azepan-1-ylcarbonyl)-N-[(4-bromophenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-[(4-bromophenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-[(4-bromophenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-[(4-bromophenyl)methyl]-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-[(4-bromophenyl)methyl]-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(4-bromobenzyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C21H28BrN3O3S MolecularWeight: 482.43432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN3O3S/c1-15-19(21(26)25-12-6-4-5-7-13-25)20(16(2)24(15)3)29(27,28)23-14-17-8-10-18(22)11-9-17/h8-11,23H,4-7,12-14H2,1-3H3