N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide

Systemtic Name: N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide Openeye Name: 4-(isopropylamino)-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[(6-methoxy-3-pyridazinyl)sulfamoyl]phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide IUPAC Name: N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide Traditional Name: 4-(isopropylamino)-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-3,5-dinitro-benzamide Formula: C21H21N7O8S MolecularWeight: 531.49854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N7O8S/c1-12(2)22-20-16(27(30)31)10-13(11-17(20)28(32)33)21(29)23-14-4-6-15(7-5-14)37(34,35)26-18-8-9-19(36-3)25-24-18/h4-12,22H,1-3H3,(H,23,29)(H,24,26)