2-[(4-methylphenyl)sulfonyl-(2-nitrooxyethyl)amino]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(2-nitrooxyethyl)amino]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 2-[2-nitrooxyethyl(p-tolylsulfonyl)amino]ethyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid 2-[(4-methylphenyl)sulfonyl-(2-nitrooxyethyl)amino]ethyl ester IUPAC Name: 2-[(4-methylphenyl)sulfonyl-(2-nitrooxyethyl)amino]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid 2-[2-nitrooxyethyl(tosyl)amino]ethyl ester Formula: C25H28N2O8S MolecularWeight: 516.56342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC(=O)C(C)C2=CC3=C(C=C2)C=C(C=C3)OC)CCO[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC(=O)[C@@H](C)C2=CC3=C(C=C2)C=C(C=C3)OC)CCO[N+](=O)[O-]

InChI

InChI=1S/C25H28N2O8S/c1-18-4-10-24(11-5-18)36(31,32)26(13-15-35-27(29)30)12-14-34-25(28)19(2)20-6-7-22-17-23(33-3)9-8-21(22)16-20/h4-11,16-17,19H,12-15H2,1-3H3/t19-/m0/s1