(4S,12S)-4,12-dimethyl-3,13-bis-(4-methylphenyl)sulfonyl-3,6,10,13,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-5,11-dione

Systemtic Name: (4S,12S)-4,12-dimethyl-3,13-bis-(4-methylphenyl)sulfonyl-3,6,10,13,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-5,11-dione Openeye Name: (4S,12S)-4,12-dimethyl-3,13-bis(p-tolylsulfonyl)-3,6,10,13,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-5,11-dione CAS Name: (4S,12S)-4,12-dimethyl-3,13-bis-(4-methylphenyl)sulfonyl-3,6,10,13,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-5,11-dione IUPAC Name: (4S,12S)-4,12-dimethyl-3,13-bis-(4-methylphenyl)sulfonyl-3,6,10,13,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-5,11-dione Traditional Name: (4S,12S)-4,12-dimethyl-3,13-ditosyl-3,6,10,13,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-5,11-quinone Formula: C30H37N5O6S2 MolecularWeight: 627.77468

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCCCNC(=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)NCCCNC(=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/C30H37N5O6S2/c1-21-9-13-27(14-10-21)42(38,39)34-19-25-7-5-8-26(33-25)20-35(43(40,41)28-15-11-22(2)12-16-28)24(4)30(37)32-18-6-17-31-29(36)23(34)3/h5,7-16,23-24H,6,17-20H2,1-4H3,(H,31,36)(H,32,37)/t23-,24-/m0/s1