1-(3-chloranyl-4-methyl-phenyl)-N-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-N-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(3-chloro-4-methyl-phenyl)-N-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(3-chloro-4-methylphenyl)-N-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(3-chloro-4-methylphenyl)-N-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(3-chloro-4-methyl-phenyl)-N-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=C(C=C(C=C1)N2C(=O)CN(CC2(C)C(=O)NC3CCCCCC3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)CN(CC2(C)C(=O)NC3CCCCCC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H30ClN3O4S/c1-15-10-11-17(12-18(15)22)25-19(26)13-24(30(3,28)29)14-21(25,2)20(27)23-16-8-6-4-5-7-9-16/h10-12,16H,4-9,13-14H2,1-3H3,(H,23,27)