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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-N-[(2,3,4-trimethoxyphenyl)methyl]aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-N-[(2,3,4-trimethoxyphenyl)methyl]aniline CAS Name: 4-(1-azepanylsulfonyl)-N-methyl-2-nitro-N-[(2,3,4-trimethoxyphenyl)methyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-N-[(2,3,4-trimethoxyphenyl)methyl]aniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-(2,3,4-trimethoxybenzyl)amine Formula: C23H31N3O7S MolecularWeight: 493.57314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O7S/c1-24(16-17-9-12-21(31-2)23(33-4)22(17)32-3)19-11-10-18(15-20(19)26(27)28)34(29,30)25-13-7-5-6-8-14-25/h9-12,15H,5-8,13-14,16H2,1-4H3