(4S,11S)-4,11-dimethyl-3,12-bis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.3.1]octadeca-1(18),14,16-triene-5,10-dione

Systemtic Name: (4S,11S)-4,11-dimethyl-3,12-bis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.3.1]octadeca-1(18),14,16-triene-5,10-dione Openeye Name: (4S,11S)-4,11-dimethyl-3,12-bis(p-tolylsulfonyl)-3,6,9,12-tetrazabicyclo[12.3.1]octadeca-1(18),14,16-triene-5,10-dione CAS Name: (4S,11S)-4,11-dimethyl-3,12-bis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.3.1]octadeca-1(18),14,16-triene-5,10-dione IUPAC Name: (4S,11S)-4,11-dimethyl-3,12-bis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.3.1]octadeca-1(18),14,16-triene-5,10-dione Traditional Name: (4S,11S)-4,11-dimethyl-3,12-ditosyl-3,6,9,12-tetrazabicyclo[12.3.1]octadeca-1(18),14,16-triene-5,10-quinone Formula: C30H36N4O6S2 MolecularWeight: 612.76004

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCCNC(=O)C(N(CC2=CC=CC(=C2)CN1S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

C[C@H]1C(=O)NCCNC(=O)[C@@H](N(CC2=CC=CC(=C2)CN1S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C30H36N4O6S2/c1-21-8-12-27(13-9-21)41(37,38)33-19-25-6-5-7-26(18-25)20-34(42(39,40)28-14-10-22(2)11-15-28)24(4)30(36)32-17-16-31-29(35)23(33)3/h5-15,18,23-24H,16-17,19-20H2,1-4H3,(H,31,35)(H,32,36)/t23-,24-/m0/s1