N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-ethynylanilino)-2-oxo-ethyl]-1-(2-naphthylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(2-naphthalenylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3-ethynylanilino)-2-keto-ethyl]-1-(2-naphthylsulfonyl)isonipecotamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H25N3O4S/c1-2-19-6-5-9-23(16-19)28-25(30)18-27-26(31)21-12-14-29(15-13-21)34(32,33)24-11-10-20-7-3-4-8-22(20)17-24/h1,3-11,16-17,21H,12-15,18H2,(H,27,31)(H,28,30)