(3S)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2,4-dimethoxyphenyl)methyl]-1-(1-naphthylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2,4-dimethoxyphenyl)methyl]-1-(1-naphthalenylsulfonyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2,4-dimethoxybenzyl)-1-(1-naphthylsulfonyl)nipecotamide Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C25H28N2O5S/c1-31-21-13-12-19(23(15-21)32-2)16-26-25(28)20-9-6-14-27(17-20)33(29,30)24-11-5-8-18-7-3-4-10-22(18)24/h3-5,7-8,10-13,15,20H,6,9,14,16-17H2,1-2H3,(H,26,28)/t20-/m0/s1