N-[(4-bromophenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)thiophene-3-sulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)thiophene-3-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-N-(2-oxo-3-azepanyl)-3-thiophenesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-(2-ketoazepan-3-yl)thiophene-3-sulfonamide Formula: C17H19BrN2O3S2 MolecularWeight: 443.37836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CSC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CSC=C3

InChI

InChI=1S/C17H19BrN2O3S2/c18-14-6-4-13(5-7-14)11-20(16-3-1-2-9-19-17(16)21)25(22,23)15-8-10-24-12-15/h4-8,10,12,16H,1-3,9,11H2,(H,19,21)