1-methyl-4-[(1R,2R,3S)-1-(2-nitroethyl)-2-phenylmethoxy-3-(phenylmethoxymethyl)cyclopropyl]sulfonyl-benzene

Systemtic Name: 1-methyl-4-[(1R,2R,3S)-1-(2-nitroethyl)-2-phenylmethoxy-3-(phenylmethoxymethyl)cyclopropyl]sulfonyl-benzene Openeye Name: 1-[(1R,2R,3S)-2-benzyloxy-3-(benzyloxymethyl)-1-(2-nitroethyl)cyclopropyl]sulfonyl-4-methyl-benzene CAS Name: 1-methyl-4-[(1R,2R,3S)-1-(2-nitroethyl)-2-phenylmethoxy-3-(phenylmethoxymethyl)cyclopropyl]sulfonylbenzene IUPAC Name: 1-methyl-4-[(1R,2R,3S)-1-(2-nitroethyl)-2-phenylmethoxy-3-(phenylmethoxymethyl)cyclopropyl]sulfonylbenzene Traditional Name: 1-[(1R,2R,3S)-2-benzoxy-3-(benzoxymethyl)-1-(2-nitroethyl)cyclopropyl]sulfonyl-4-methyl-benzene Formula: C27H29NO6S MolecularWeight: 495.58726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(C(C2OCC3=CC=CC=C3)COCC4=CC=CC=C4)CC[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@@]2([C@H]([C@H]2OCC3=CC=CC=C3)COCC4=CC=CC=C4)CC[N+](=O)[O-]

InChI

InChI=1S/C27H29NO6S/c1-21-12-14-24(15-13-21)35(31,32)27(16-17-28(29)30)25(20-33-18-22-8-4-2-5-9-22)26(27)34-19-23-10-6-3-7-11-23/h2-15,25-26H,16-20H2,1H3/t25-,26+,27+/m0/s1