N-[3-(azepan-1-yl)propyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C23H37N3O3S MolecularWeight: 435.62318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C23H37N3O3S/c1-20-9-4-5-10-22(20)19-30(28,29)26-17-11-21(12-18-26)23(27)24-13-8-16-25-14-6-2-3-7-15-25/h4-5,9-10,21H,2-3,6-8,11-19H2,1H3,(H,24,27)