N-[1-(azepan-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-5-bromanyl-thiophene-2-sulfonamide

Systemtic Name: N-[1-(azepan-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-5-bromanyl-thiophene-2-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-1-benzyl-2-oxo-ethyl]-5-bromo-thiophene-2-sulfonamide CAS Name: N-[1-(1-azepanyl)-1-oxo-3-phenylpropan-2-yl]-5-bromo-2-thiophenesulfonamide IUPAC Name: N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-bromothiophene-2-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-1-benzyl-2-keto-ethyl]-5-bromo-thiophene-2-sulfonamide Formula: C19H23BrN2O3S2 MolecularWeight: 471.43152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H23BrN2O3S2/c20-17-10-11-18(26-17)27(24,25)21-16(14-15-8-4-3-5-9-15)19(23)22-12-6-1-2-7-13-22/h3-5,8-11,16,21H,1-2,6-7,12-14H2