1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Formula: C18H22ClN5O4S MolecularWeight: 439.91638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H22ClN5O4S/c1-12-13(2)20-14(3)21-18(12)22-7-4-8-23(10-9-22)29(27,28)15-5-6-16(19)17(11-15)24(25)26/h5-6,11H,4,7-10H2,1-3H3