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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-veratryl-amine Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S/c1-23(16-17-8-11-21(30-2)22(14-17)31-3)19-10-9-18(15-20(19)25(26)27)32(28,29)24-12-6-4-5-7-13-24/h8-11,14-15H,4-7,12-13,16H2,1-3H3