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

Systemtic Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]thiophene-2-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]thiophene-2-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]-2-thiophenesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]thiophene-2-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]thiophene-2-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=CC=CS3

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19BrN2O3S2/c18-14-8-6-13(7-9-14)12-20(15-4-1-2-10-19-17(15)21)25(22,23)16-5-3-11-24-16/h3,5-9,11,15H,1-2,4,10,12H2,(H,19,21)/t15-/m1/s1