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

Systemtic Name: ethyl 4-[3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O5S/c1-2-36-27(33)31-14-12-30(13-15-31)26(32)25(17-20-6-5-7-21(16-20)19-28)29-37(34,35)24-11-10-22-8-3-4-9-23(22)18-24/h3-11,16,18,25,29H,2,12-15,17H2,1H3