methyl 3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]propanoate

Systemtic Name: methyl 3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]propanoate Openeye Name: methyl 2-[3-[3-(benzyloxycarbonylamino)propyl]-4-(2-nitrophenyl)sulfonyl-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoate CAS Name: 3-(2-naphthalenyl)-2-[4-(2-nitrophenyl)sulfonyl-2-oxo-3-[3-(phenylmethoxycarbonylamino)propyl]-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxo-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]propanoate Traditional Name: 2-[3-[3-(benzyloxycarbonylamino)propyl]-2-keto-4-(2-nitrophenyl)sulfonyl-piperazino]-3-(2-naphthyl)propionic acid methyl ester Formula: C35H36N4O9S MolecularWeight: 688.74674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=CC=CC=C2C=C1)N3CCN(C(C3=O)CCCNC(=O)OCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC2=CC=CC=C2C=C1)N3CCN(C(C3=O)CCCNC(=O)OCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C35H36N4O9S/c1-47-34(41)31(23-26-17-18-27-12-5-6-13-28(27)22-26)37-20-21-38(49(45,46)32-16-8-7-14-29(32)39(43)44)30(33(37)40)15-9-19-36-35(42)48-24-25-10-3-2-4-11-25/h2-8,10-14,16-18,22,30-31H,9,15,19-21,23-24H2,1H3,(H,36,42)