(4S,14S)-4,14-dimethyl-3,15-bis-(4-methylphenyl)sulfonyl-3,6,12,15,21-pentazabicyclo[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-3,6,12,15,21-pentazabicyclo[15.3.1]henicosa-1(21),17,19-triene-5,13-dione Openeye Name: (4S,14S)-4,14-dimethyl-3,15-bis(p-tolylsulfonyl)-3,6,12,15,21-pentazabicyclo[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-3,6,12,15,21-pentazabicyclo[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-3,6,12,15,21-pentazabicyclo[15.3.1]henicosa-1(21),17,19-triene-5,13-dione Traditional Name: (4S,14S)-4,14-dimethyl-3,15-ditosyl-3,6,12,15,21-pentazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-5,13-quinone Formula: C32H41N5O6S2 MolecularWeight: 655.82784

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCCCCCNC(=O)C(N(CC2=CC=CC(=N2)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(=N2)CN1S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C32H41N5O6S2/c1-23-11-15-29(16-12-23)44(40,41)36-21-27-9-8-10-28(35-27)22-37(45(42,43)30-17-13-24(2)14-18-30)26(4)32(39)34-20-7-5-6-19-33-31(38)25(36)3/h8-18,25-26H,5-7,19-22H2,1-4H3,(H,33,38)(H,34,39)/t25-,26-/m0/s1