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

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperazine-1-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-4-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[3-(2-oxo-1-azepanyl)propyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-[3-(2-oxoazepan-1-yl)propyl]piperazine-1-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-4-tosyl-piperazine-1-carboxamide Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O4S/c1-18-7-9-19(10-8-18)30(28,29)25-16-14-24(15-17-25)21(27)22-11-5-13-23-12-4-2-3-6-20(23)26/h7-10H,2-6,11-17H2,1H3,(H,22,27)