4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-m-anisyl-benzenesulfonamide Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N2O5S2/c1-27-18-8-6-7-17(15-18)16-21-28(23,24)19-9-11-20(12-10-19)29(25,26)22-13-4-2-3-5-14-22/h6-12,15,21H,2-5,13-14,16H2,1H3