N-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C20H28N4O3S/c1-17-5-2-3-6-19(17)15-28(26,27)24-12-7-18(8-13-24)20(25)22-9-4-11-23-14-10-21-16-23/h2-3,5-6,10,14,16,18H,4,7-9,11-13,15H2,1H3,(H,22,25)