4-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-o-anisyl-benzenesulfonamide Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N2O5S2/c1-27-20-9-5-4-8-17(20)16-21-28(23,24)18-10-12-19(13-11-18)29(25,26)22-14-6-2-3-7-15-22/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3