(4S,13S)-4,13-dimethyl-3,14-bis-(4-methylphenyl)sulfonyl-3,6,11,14-tetrazabicyclo[14.3.1]icosa-1(20),16,18-triene-5,12-dione

Systemtic Name: (4S,13S)-4,13-dimethyl-3,14-bis-(4-methylphenyl)sulfonyl-3,6,11,14-tetrazabicyclo[14.3.1]icosa-1(20),16,18-triene-5,12-dione Openeye Name: (4S,13S)-4,13-dimethyl-3,14-bis(p-tolylsulfonyl)-3,6,11,14-tetrazabicyclo[14.3.1]icosa-1(20),16,18-triene-5,12-dione CAS Name: (4S,13S)-4,13-dimethyl-3,14-bis-(4-methylphenyl)sulfonyl-3,6,11,14-tetrazabicyclo[14.3.1]eicosa-1(20),16,18-triene-5,12-dione IUPAC Name: (4S,13S)-4,13-dimethyl-3,14-bis-(4-methylphenyl)sulfonyl-3,6,11,14-tetrazabicyclo[14.3.1]icosa-1(20),16,18-triene-5,12-dione Traditional Name: (4S,13S)-4,13-dimethyl-3,14-ditosyl-3,6,11,14-tetrazabicyclo[14.3.1]eicosa-1(20),16,18-triene-5,12-quinone Formula: C32H40N4O6S2 MolecularWeight: 640.8132

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCCCCNC(=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)NCCCCNC(=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/C32H40N4O6S2/c1-23-10-14-29(15-11-23)43(39,40)35-21-27-8-7-9-28(20-27)22-36(44(41,42)30-16-12-24(2)13-17-30)26(4)32(38)34-19-6-5-18-33-31(37)25(35)3/h7-17,20,25-26H,5-6,18-19,21-22H2,1-4H3,(H,33,37)(H,34,38)/t25-,26-/m0/s1