N-cycloheptyl-1-(4-fluorophenyl)-2-methyl-6-oxidanylidene-4-(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: N-cycloheptyl-1-(4-fluorophenyl)-2-methyl-6-oxidanylidene-4-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-cycloheptyl-1-(4-fluorophenyl)-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 4-(benzenesulfonyl)-N-cycloheptyl-1-(4-fluorophenyl)-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-cycloheptyl-1-(4-fluorophenyl)-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: 4-besyl-N-cycloheptyl-1-(4-fluorophenyl)-6-keto-2-methyl-piperazine-2-carboxamide Formula: C25H30FN3O4S MolecularWeight: 487.586803

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3)C(=O)NC4CCCCCC4

Isomeric SMILES

CC1(CN(CC(=O)N1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3)C(=O)NC4CCCCCC4

InChI

InChI=1S/C25H30FN3O4S/c1-25(24(31)27-20-9-5-2-3-6-10-20)18-28(34(32,33)22-11-7-4-8-12-22)17-23(30)29(25)21-15-13-19(26)14-16-21/h4,7-8,11-16,20H,2-3,5-6,9-10,17-18H2,1H3,(H,27,31)