1-chloranyl-5-methyl-6,11-bis(phenylmethyl)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 1-chloranyl-5-methyl-6,11-bis(phenylmethyl)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6,11-dibenzyl-1-chloro-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-5-methyl-6,11-bis(phenylmethyl)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6,11-dibenzyl-1-chloro-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6,11-dibenzyl-1-chloro-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C30H29ClN4O2S MolecularWeight: 545.09486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H29ClN4O2S/c1-20(2)38(36,37)26-17-23(14-21-10-6-4-7-11-21)28-24(18-26)16-25(15-22-12-8-5-9-13-22)34-27-29(31)32-19-33-30(27)35(28)3/h4-13,17-20H,14-16H2,1-3H3