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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,5-dimethyl-benzenesulfonamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H28N2O5S2/c1-16-8-9-17(2)21(14-16)29(24,25)22-19-15-18(10-11-20(19)28-3)30(26,27)23-12-6-4-5-7-13-23/h8-11,14-15,22H,4-7,12-13H2,1-3H3