N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-3,4-dimethoxy-aniline

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-3,4-dimethoxy-aniline Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-3,4-dimethoxy-aniline CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-3,4-dimethoxyaniline IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-3,4-dimethoxyaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(3,4-dimethoxyphenyl)amine Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N3O6S/c1-28-19-10-7-15(13-20(19)29-2)21-17-9-8-16(14-18(17)23(24)25)30(26,27)22-11-5-3-4-6-12-22/h7-10,13-14,21H,3-6,11-12H2,1-2H3