methyl (E)-3-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-3-methoxy-phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[4-(1-azepanylsulfonyl)-2-nitrophenoxy]-3-methoxyphenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenoxy]-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-3-methoxy-phenyl]acrylic acid methyl ester Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O8S/c1-31-22-15-17(8-12-23(26)32-2)7-10-21(22)33-20-11-9-18(16-19(20)25(27)28)34(29,30)24-13-5-3-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3/b12-8+