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

Systemtic Name: 2-[3-(methoxymethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-yl]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[3-(methoxymethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-yl]-3-(2-naphthyl)propanoic acid CAS Name: 2-[3-(methoxymethyl)-4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[3-(methoxymethyl)-4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[3-(methoxymethyl)-4-(2-nitrophenyl)sulfonyl-piperazino]-3-(2-naphthyl)propionic acid Formula: C25H27N3O7S MolecularWeight: 513.56278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1CN(CCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(CC3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

COCC1CN(CCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(CC3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C25H27N3O7S/c1-35-17-21-16-26(12-13-27(21)36(33,34)24-9-5-4-8-22(24)28(31)32)23(25(29)30)15-18-10-11-19-6-2-3-7-20(19)14-18/h2-11,14,21,23H,12-13,15-17H2,1H3,(H,29,30)