tert-butyl N-[(1R,4S)-4-[nitro(phenylsulfonyl)methyl]cyclopent-2-en-1-yl]carbamate

Systemtic Name: tert-butyl N-[(1R,4S)-4-[nitro(phenylsulfonyl)methyl]cyclopent-2-en-1-yl]carbamate Openeye Name: tert-butyl N-[(1R,4S)-4-[benzenesulfonyl(nitro)methyl]cyclopent-2-en-1-yl]carbamate CAS Name: N-[(1R,4S)-4-[benzenesulfonyl(nitro)methyl]-1-cyclopent-2-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R,4S)-4-[benzenesulfonyl(nitro)methyl]cyclopent-2-en-1-yl]carbamate Traditional Name: N-[(1R,4S)-4-[besyl(nitro)methyl]cyclopent-2-en-1-yl]carbamic acid tert-butyl ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC(C=C1)C([N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=C1)C([N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O6S/c1-17(2,3)25-16(20)18-13-10-9-12(11-13)15(19(21)22)26(23,24)14-7-5-4-6-8-14/h4-10,12-13,15H,11H2,1-3H3,(H,18,20)/t12-,13+,15?/m1/s1