N-[4-methoxy-3-(phenylmethyl)phenyl]-1-methylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-1-methylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-1-methylsulfonyl-piperidine-2-carboxamide CAS Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-1-methylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-1-mesyl-pipecolinamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-27-20-12-11-18(15-17(20)14-16-8-4-3-5-9-16)22-21(24)19-10-6-7-13-23(19)28(2,25)26/h3-5,8-9,11-12,15,19H,6-7,10,13-14H2,1-2H3,(H,22,24)