N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-methyl-benzenesulfonamide Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S2/c1-15-6-8-16(9-7-15)29(25,26)20-18-11-10-17(14-19(18)22(23)24)30(27,28)21-12-4-2-3-5-13-21/h6-11,14,20H,2-5,12-13H2,1H3