4-[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylpiperazine-1-carbaldehyde Openeye Name: 4-[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylpiperazine-1-carbaldehyde CAS Name: 4-[3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonyl-1-piperazinecarboxaldehyde IUPAC Name: 4-[3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonylpiperazine-1-carbaldehyde Traditional Name: 4-[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylpiperazine-1-carbaldehyde Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C=O)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C=O)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H27N3O5S/c1-27-18-7-6-16(28(25,26)22-12-10-20(15-23)11-13-22)14-17(18)19(24)21-8-4-2-3-5-9-21/h6-7,14-15H,2-5,8-13H2,1H3