N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-5-chlorophenyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-5-chlorophenyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C22H28ClN3O4S2 MolecularWeight: 498.05842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H28ClN3O4S2/c23-18-7-12-22(25-13-3-1-2-4-14-25)21(17-18)24-31(27,28)19-8-10-20(11-9-19)32(29,30)26-15-5-6-16-26/h7-12,17,24H,1-6,13-16H2