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

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane Formula: C25H28ClN5O4S MolecularWeight: 530.03892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C25H28ClN5O4S/c1-17(2)23-18(3)27-24(19-8-5-4-6-9-19)28-25(23)29-12-7-13-30(15-14-29)36(34,35)20-10-11-21(26)22(16-20)31(32)33/h4-6,8-11,16-17H,7,12-15H2,1-3H3