1-(4-nitrophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-(4-nitrophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(4-nitrophenyl)sulfonyl-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(4-nitrophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-nosyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Formula: C18H23N5O4S MolecularWeight: 405.47132

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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)[N+](=O)[O-])C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4S/c1-13-14(2)19-15(3)20-18(13)21-9-4-10-22(12-11-21)28(26,27)17-7-5-16(6-8-17)23(24)25/h5-8H,4,9-12H2,1-3H3