N-[2-methyl-5-(propanoylamino)phenyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-(2-naphthylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-methyl-5-(1-oxopropylamino)phenyl]-1-(2-naphthalenylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-5-propionamido-phenyl)-1-(2-naphthylsulfonyl)isonipecotamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H29N3O4S/c1-3-25(30)27-22-10-8-18(2)24(17-22)28-26(31)20-12-14-29(15-13-20)34(32,33)23-11-9-19-6-4-5-7-21(19)16-23/h4-11,16-17,20H,3,12-15H2,1-2H3,(H,27,30)(H,28,31)