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

Systemtic Name: 2-[3-(methoxymethyl)-4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[3-(methoxymethyl)-4-(2-nitrophenyl)sulfonyl-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoic acid CAS Name: 2-[3-(methoxymethyl)-4-(2-nitrophenyl)sulfonyl-2-oxo-1-piperazinyl]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[3-(methoxymethyl)-4-(2-nitrophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[2-keto-3-(methoxymethyl)-4-(2-nitrophenyl)sulfonyl-piperazino]-3-(2-naphthyl)propionic acid Formula: C25H25N3O8S MolecularWeight: 527.5463

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C(=O)N(CCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(CC3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

COCC1C(=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/C25H25N3O8S/c1-36-16-22-24(29)26(12-13-27(22)37(34,35)23-9-5-4-8-20(23)28(32)33)21(25(30)31)15-17-10-11-18-6-2-3-7-19(18)14-17/h2-11,14,21-22H,12-13,15-16H2,1H3,(H,30,31)