tert-butyl N-[(E,2S)-1-[(2,4-dinitrophenyl)sulfonyl-prop-2-enyl-amino]-3-ethyl-pent-3-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(E,2S)-1-[(2,4-dinitrophenyl)sulfonyl-prop-2-enyl-amino]-3-ethyl-pent-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1S)-1-[[allyl-(2,4-dinitrophenyl)sulfonyl-amino]methyl]-2-ethyl-but-2-enyl]carbamate CAS Name: N-[(E,2S)-1-[(2,4-dinitrophenyl)sulfonyl-prop-2-enylamino]-3-ethylpent-3-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,2S)-1-[(2,4-dinitrophenyl)sulfonyl-prop-2-enylamino]-3-ethylpent-3-en-2-yl]carbamate Traditional Name: N-[(E,1S)-1-[[allyl-(2,4-dinitrophenyl)sulfonyl-amino]methyl]-2-ethyl-but-2-enyl]carbamic acid tert-butyl ester Formula: C21H30N4O8S MolecularWeight: 498.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)C(CN(CC=C)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC/C(=C\C)/[C@@H](CN(CC=C)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N4O8S/c1-7-12-23(14-17(15(8-2)9-3)22-20(26)33-21(4,5)6)34(31,32)19-11-10-16(24(27)28)13-18(19)25(29)30/h7-8,10-11,13,17H,1,9,12,14H2,2-6H3,(H,22,26)/b15-8+/t17-/m1/s1