[4-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]-2-methoxy-phenyl] ethanoate Openeye Name: [4-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-[[4-(1-azepanylsulfonyl)phenyl]iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]-2-methoxy-phenyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H26N2O5S/c1-17(25)29-21-12-7-18(15-22(21)28-2)16-23-19-8-10-20(11-9-19)30(26,27)24-13-5-3-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3