4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(3-methoxyphenyl)methyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-m-anisyl-amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-28-17-8-6-7-16(13-17)15-21-19-10-9-18(14-20(19)23(24)25)29(26,27)22-11-4-2-3-5-12-22/h6-10,13-14,21H,2-5,11-12,15H2,1H3