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

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde Openeye Name: 4-[4-(azepane-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde CAS Name: 4-[4-[1-azepanyl(oxo)methyl]phenyl]sulfonyl-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(azepane-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde Traditional Name: 4-[4-(azepane-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O

InChI

InChI=1S/C18H25N3O4S/c22-15-19-11-13-21(14-12-19)26(24,25)17-7-5-16(6-8-17)18(23)20-9-3-1-2-4-10-20/h5-8,15H,1-4,9-14H2