3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-(2-naphthylsulfonylamino)propanoate CAS Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-(2-naphthalenylsulfonylamino)propanoate IUPAC Name: 3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]-2-(2-naphthylsulfonylamino)propionate Formula: C26H24N5O6S- MolecularWeight: 534.56366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(C(=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(C(=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H25N5O6S/c27-14-18-5-8-21(9-6-18)30-11-12-31(25(33)17-30)16-24(32)28-15-23(26(34)35)29-38(36,37)22-10-7-19-3-1-2-4-20(19)13-22/h1-10,13,23,29H,11-12,15-17H2,(H,28,32)(H,34,35)/p-1