3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-3-prop-2-enyl-piperazin-1-yl]propanoic acid

Systemtic Name: 3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-3-prop-2-enyl-piperazin-1-yl]propanoic acid Openeye Name: 2-[3-allyl-4-(2-nitrophenyl)sulfonyl-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoic acid CAS Name: 3-(2-naphthalenyl)-2-[4-(2-nitrophenyl)sulfonyl-2-oxo-3-prop-2-enyl-1-piperazinyl]propanoic acid IUPAC Name: 3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxo-3-prop-2-enylpiperazin-1-yl]propanoic acid Traditional Name: 2-[3-allyl-2-keto-4-(2-nitrophenyl)sulfonyl-piperazino]-3-(2-naphthyl)propionic acid Formula: C26H25N3O7S MolecularWeight: 523.5576

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C(=O)N(CCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(CC3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C=CCC1C(=O)N(CCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(CC3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C26H25N3O7S/c1-2-7-22-25(30)27(14-15-28(22)37(35,36)24-11-6-5-10-21(24)29(33)34)23(26(31)32)17-18-12-13-19-8-3-4-9-20(19)16-18/h2-6,8-13,16,22-23H,1,7,14-15,17H2,(H,31,32)