N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-N,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-N,4-dimethyl-benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-N,4-dimethyl-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-N,4-dimethylbenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-N,4-dimethylbenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-N,4-dimethyl-benzenesulfonamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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