methyl 4-[3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate Openeye Name: methyl 4-[3-(3-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-cyanophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperazine-1-carboxylic acid methyl ester Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H26N4O5S/c1-35-26(32)30-13-11-29(12-14-30)25(31)24(16-19-5-4-6-20(15-19)18-27)28-36(33,34)23-10-9-21-7-2-3-8-22(21)17-23/h2-10,15,17,24,28H,11-14,16H2,1H3