1-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-(2,5-dimethylphenyl)-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)nipecotamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-16-9-10-17(2)19(14-16)21-20(24)18-8-7-13-23(15-18)27(25,26)22-11-5-3-4-6-12-22/h9-10,14,18H,3-8,11-13,15H2,1-2H3,(H,21,24)