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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C20H25N3O7S2 MolecularWeight: 483.5584

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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)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O7S2/c1-15-7-8-16(13-20(15)32(28,29)22-11-5-3-4-6-12-22)21-31(26,27)17-9-10-19(30-2)18(14-17)23(24)25/h7-10,13-14,21H,3-6,11-12H2,1-2H3