4-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-(4-methoxyphenyl)-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(4-methoxyphenyl)amine Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-27-16-8-6-15(7-9-16)20-18-11-10-17(14-19(18)22(23)24)28(25,26)21-12-4-2-3-5-13-21/h6-11,14,20H,2-5,12-13H2,1H3