4-(azepan-1-ylsulfonyl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-amine Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H31N3O6S/c1-4-32-22-12-9-18(15-23(22)31-3)17-24(2)20-11-10-19(16-21(20)26(27)28)33(29,30)25-13-7-5-6-8-14-25/h9-12,15-16H,4-8,13-14,17H2,1-3H3