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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S2/c26-30(27,21-11-13-22(14-12-21)31(28,29)25-17-5-6-18-25)23-19-7-9-20(10-8-19)24-15-3-1-2-4-16-24/h7-14,23H,1-6,15-18H2