1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[3-(4-nitrophenyl)-1-adamantyl]urea

Systemtic Name: 1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[3-(4-nitrophenyl)-1-adamantyl]urea Openeye Name: 1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[3-(4-nitrophenyl)-1-adamantyl]urea CAS Name: 1-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]-3-[3-(4-nitrophenyl)-1-adamantyl]urea IUPAC Name: 1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[3-(4-nitrophenyl)-1-adamantyl]urea Traditional Name: 1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[3-(4-nitrophenyl)-1-adamantyl]urea Formula: C28H30N6O5S MolecularWeight: 562.64

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)(C4)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)(C4)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H30N6O5S/c1-18-10-11-29-25(30-18)33-40(38,39)24-8-4-22(5-9-24)31-26(35)32-28-15-19-12-20(16-28)14-27(13-19,17-28)21-2-6-23(7-3-21)34(36)37/h2-11,19-20H,12-17H2,1H3,(H,29,30,33)(H2,31,32,35)