N-[2-(azepan-1-yl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1-mesyl-isonipecotamide Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C19H29N3O3S/c1-26(24,25)22-14-10-16(11-15-22)19(23)20-17-8-4-5-9-18(17)21-12-6-2-3-7-13-21/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3,(H,20,23)