N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-N-methyl-benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-N-methyl-benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-N-methyl-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-N-methylbenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-N-methylbenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-N-methyl-benzenesulfonamide Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O5S2/c1-21(28(23,24)17-10-6-5-7-11-17)19-16-18(12-13-20(19)27-2)29(25,26)22-14-8-3-4-9-15-22/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3