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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]benzenesulfonamide CAS Name: 4-acetyl-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]benzenesulfonamide Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S2/c1-16(24)17-7-9-18(10-8-17)30(25,26)22-20-15-19(11-12-21(20)29-2)31(27,28)23-13-5-3-4-6-14-23/h7-12,15,22H,3-6,13-14H2,1-2H3