N-cycloheptyl-2-methyl-1-(2-methylphenyl)-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-cycloheptyl-2-methyl-1-(2-methylphenyl)-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cycloheptyl-2-methyl-4-methylsulfonyl-1-(o-tolyl)-6-oxo-piperazine-2-carboxamide CAS Name: N-cycloheptyl-2-methyl-1-(2-methylphenyl)-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cycloheptyl-2-methyl-1-(2-methylphenyl)-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-cycloheptyl-6-keto-4-mesyl-2-methyl-1-(o-tolyl)piperazine-2-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CN(CC2(C)C(=O)NC3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)CN(CC2(C)C(=O)NC3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C21H31N3O4S/c1-16-10-8-9-13-18(16)24-19(25)14-23(29(3,27)28)15-21(24,2)20(26)22-17-11-6-4-5-7-12-17/h8-10,13,17H,4-7,11-12,14-15H2,1-3H3,(H,22,26)