1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(4-chloro-3-nitro-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-4-(4-chloro-3-nitrophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(4-chloro-3-nitro-phenyl)sulfonyl-1,4-diazepane Formula: C24H26ClN5O4S MolecularWeight: 516.01234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H26ClN5O4S/c1-17-21(15-19-7-4-3-5-8-19)24(27-18(2)26-17)28-11-6-12-29(14-13-28)35(33,34)20-9-10-22(25)23(16-20)30(31)32/h3-5,7-10,16H,6,11-15H2,1-2H3