ethyl 4-methyl-2-[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]pentanoate

Systemtic Name: ethyl 4-methyl-2-[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]pentanoate Openeye Name: ethyl 2-[benzyl-(4-nitrophenyl)sulfonyl-amino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-(4-nitrophenyl)sulfonylamino]-4-methylpentanoate Traditional Name: 2-[benzyl(nosyl)amino]-4-methyl-valeric acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-4-29-21(24)20(14-16(2)3)22(15-17-8-6-5-7-9-17)30(27,28)19-12-10-18(11-13-19)23(25)26/h5-13,16,20H,4,14-15H2,1-3H3