N-[(4-chlorophenyl)methyl]-1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-cycloheptyl-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C21H30ClN3O4S MolecularWeight: 455.9986

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1C2CCCCCC2)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1(CN(CC(=O)N1C2CCCCCC2)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H30ClN3O4S/c1-21(20(27)23-13-16-9-11-17(22)12-10-16)15-24(30(2,28)29)14-19(26)25(21)18-7-5-3-4-6-8-18/h9-12,18H,3-8,13-15H2,1-2H3,(H,23,27)