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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-16-9-7-11-19(17(16)2)21-20(24)18-10-8-14-23(15-18)27(25,26)22-12-5-3-4-6-13-22/h7,9,11,18H,3-6,8,10,12-15H2,1-2H3,(H,21,24)