4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazin-2-one

Systemtic Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazin-2-one Openeye Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazin-2-one CAS Name: 4-[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]-2-piperazinone IUPAC Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazin-2-one Traditional Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazin-2-one Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCNC(=O)C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H27N3O4S/c23-18-15-21(14-11-20-18)19(24)10-7-16-5-8-17(9-6-16)27(25,26)22-12-3-1-2-4-13-22/h5-6,8-9H,1-4,7,10-15H2,(H,20,23)