5-(butylamino)-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(butylamino)-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(butylamino)-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]-5-oxo-pentanoic acid CAS Name: 5-(butylamino)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]-5-oxopentanoic acid IUPAC Name: 5-(butylamino)-2-[(2-methyl-5-nitrophenyl)sulfonylamino]-5-oxopentanoic acid Traditional Name: 5-(butylamino)-5-keto-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]valeric acid Formula: C16H23N3O7S MolecularWeight: 401.43472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCNC(=O)CCC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C

InChI

InChI=1S/C16H23N3O7S/c1-3-4-9-17-15(20)8-7-13(16(21)22)18-27(25,26)14-10-12(19(23)24)6-5-11(14)2/h5-6,10,13,18H,3-4,7-9H2,1-2H3,(H,17,20)(H,21,22)