(4S,14S)-4,14-dimethyl-3,15-bis-(4-methylphenyl)sulfonyl-3,6,12,15-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-triene-5,13-dione

Systemtic Name: (4S,14S)-4,14-dimethyl-3,15-bis-(4-methylphenyl)sulfonyl-3,6,12,15-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-triene-5,13-dione Openeye Name: (4S,14S)-4,14-dimethyl-3,15-bis(p-tolylsulfonyl)-3,6,12,15-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-triene-5,13-dione CAS Name: (4S,14S)-4,14-dimethyl-3,15-bis-(4-methylphenyl)sulfonyl-3,6,12,15-tetrazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-5,13-dione IUPAC Name: (4S,14S)-4,14-dimethyl-3,15-bis-(4-methylphenyl)sulfonyl-3,6,12,15-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-triene-5,13-dione Traditional Name: (4S,14S)-4,14-dimethyl-3,15-ditosyl-3,6,12,15-tetrazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-5,13-quinone Formula: C33H42N4O6S2 MolecularWeight: 654.83978

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCCCCCNC(=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)NCCCCCNC(=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/C33H42N4O6S2/c1-24-11-15-30(16-12-24)44(40,41)36-22-28-9-8-10-29(21-28)23-37(45(42,43)31-17-13-25(2)14-18-31)27(4)33(39)35-20-7-5-6-19-34-32(38)26(36)3/h8-18,21,26-27H,5-7,19-20,22-23H2,1-4H3,(H,34,38)(H,35,39)/t26-,27-/m0/s1