5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2-methoxy-5-nitro-phenyl)methyl]aniline

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2-methoxy-5-nitro-phenyl)methyl]aniline Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2-methoxy-5-nitro-phenyl)methyl]aniline CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]aniline IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]aniline Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(2-methoxy-5-nitro-benzyl)amine Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-29-20-9-7-17(24(25)26)13-16(20)15-22-19-14-18(8-10-21(19)30-2)31(27,28)23-11-5-3-4-6-12-23/h7-10,13-14,22H,3-6,11-12,15H2,1-2H3