(2S,3S,6S)-3-methyl-1-(2-nitrophenyl)sulfonyl-6-phenethyl-2-phenyl-piperidine

Systemtic Name: (2S,3S,6S)-3-methyl-1-(2-nitrophenyl)sulfonyl-6-phenethyl-2-phenyl-piperidine Openeye Name: (2S,3S,6S)-3-methyl-1-(2-nitrophenyl)sulfonyl-6-phenethyl-2-phenyl-piperidine CAS Name: (2S,3S,6S)-3-methyl-1-(2-nitrophenyl)sulfonyl-6-phenethyl-2-phenylpiperidine IUPAC Name: (2S,3S,6S)-3-methyl-1-(2-nitrophenyl)sulfonyl-6-phenethyl-2-phenylpiperidine Traditional Name: (2S,3S,6S)-3-methyl-1-(2-nitrophenyl)sulfonyl-6-phenethyl-2-phenyl-piperidine Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CC[C@H](N([C@@H]1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4S/c1-20-16-18-23(19-17-21-10-4-2-5-11-21)27(26(20)22-12-6-3-7-13-22)33(31,32)25-15-9-8-14-24(25)28(29)30/h2-15,20,23,26H,16-19H2,1H3/t20-,23-,26-/m0/s1