4-(azepan-1-ylsulfonyl)-2-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(2,4,5-trimethoxybenzyl)amine Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H29N3O7S/c1-30-20-14-22(32-3)21(31-2)12-16(20)15-23-18-9-8-17(13-19(18)25(26)27)33(28,29)24-10-6-4-5-7-11-24/h8-9,12-14,23H,4-7,10-11,15H2,1-3H3