4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]-N-pentan-2-yl-benzamide

Systemtic Name: 4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]-N-pentan-2-yl-benzamide Openeye Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-(1-methylbutyl)benzamide CAS Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-pentan-2-ylbenzamide IUPAC Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-pentan-2-ylbenzamide Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-(1-methylbutyl)benzamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-3-4-12(2)19-18(23)13-5-7-14(8-6-13)20-28(26,27)15-9-10-17(22)16(11-15)21(24)25/h5-12,20,22H,3-4H2,1-2H3,(H,19,23)