N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-4-mesitylsulfonyl-piperazine-1-carboxamide Formula: C23H36N4O4S MolecularWeight: 464.62134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCCN3CCCCCC3=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCCN3CCCCCC3=O)C

InChI

InChI=1S/C23H36N4O4S/c1-18-16-19(2)22(20(3)17-18)32(30,31)27-14-12-26(13-15-27)23(29)24-9-7-11-25-10-6-4-5-8-21(25)28/h16-17H,4-15H2,1-3H3,(H,24,29)