4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-3-methoxy-benzaldehyde

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-3-methoxy-benzaldehyde Openeye Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-3-methoxy-benzaldehyde CAS Name: 4-[4-(1-azepanylsulfonyl)-2-nitrophenoxy]-3-methoxybenzaldehyde IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitrophenoxy]-3-methoxybenzaldehyde Traditional Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-3-methoxy-benzaldehyde Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S/c1-28-20-12-15(14-23)6-8-19(20)29-18-9-7-16(13-17(18)22(24)25)30(26,27)21-10-4-2-3-5-11-21/h6-9,12-14H,2-5,10-11H2,1H3