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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-methoxybenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-benzenesulfonamide Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N2O5S2/c1-16-7-8-17(21-28(23,24)19-11-9-18(27-2)10-12-19)15-20(16)29(25,26)22-13-5-3-4-6-14-22/h7-12,15,21H,3-6,13-14H2,1-2H3