N-[[2-[3-(azepan-1-yl)propoxy]phenyl]methyl]-4-chloranyl-N-phenyl-benzenesulfonamide

Systemtic Name: N-[[2-[3-(azepan-1-yl)propoxy]phenyl]methyl]-4-chloranyl-N-phenyl-benzenesulfonamide Openeye Name: N-[[2-[3-(azepan-1-yl)propoxy]phenyl]methyl]-4-chloro-N-phenyl-benzenesulfonamide CAS Name: N-[[2-[3-(1-azepanyl)propoxy]phenyl]methyl]-4-chloro-N-phenylbenzenesulfonamide IUPAC Name: N-[[2-[3-(azepan-1-yl)propoxy]phenyl]methyl]-4-chloro-N-phenylbenzenesulfonamide Traditional Name: N-[2-[3-(azepan-1-yl)propoxy]benzyl]-4-chloro-N-phenyl-benzenesulfonamide Formula: C28H33ClN2O3S MolecularWeight: 513.09122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=CC=CC=C2CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)CCCOC2=CC=CC=C2CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H33ClN2O3S/c29-25-15-17-27(18-16-25)35(32,33)31(26-12-4-3-5-13-26)23-24-11-6-7-14-28(24)34-22-10-21-30-19-8-1-2-9-20-30/h3-7,11-18H,1-2,8-10,19-23H2