N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,5-bis(chloranyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,5-bis(chloranyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,5-dichloro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2,5-dichlorobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,5-dichlorobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,5-dichloro-benzenesulfonamide Formula: C18H22Cl2N2O2S2 MolecularWeight: 433.41548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C3=CSC=C3

InChI

InChI=1S/C18H22Cl2N2O2S2/c19-15-5-6-16(20)18(11-15)26(23,24)21-12-17(14-7-10-25-13-14)22-8-3-1-2-4-9-22/h5-7,10-11,13,17,21H,1-4,8-9,12H2