ethyl 3-methyl-2-[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]pentanoate

Systemtic Name: ethyl 3-methyl-2-[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]pentanoate Openeye Name: ethyl 2-[benzyl-(4-nitrophenyl)sulfonyl-amino]-3-methyl-pentanoate CAS Name: 3-methyl-2-[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-(4-nitrophenyl)sulfonylamino]-3-methylpentanoate Traditional Name: 2-[benzyl(nosyl)amino]-3-methyl-valeric acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-4-16(3)20(21(24)29-5-2)22(15-17-9-7-6-8-10-17)30(27,28)19-13-11-18(12-14-19)23(25)26/h6-14,16,20H,4-5,15H2,1-3H3