N-[5-(methylsulfonylamino)-2-nitro-4-phenoxy-phenyl]ethanamide; propan-1-amine; hydrochloride

Systemtic Name: N-[5-(methylsulfonylamino)-2-nitro-4-phenoxy-phenyl]ethanamide; propan-1-amine; hydrochloride Openeye Name: N-[5-(methanesulfonamido)-2-nitro-4-phenoxy-phenyl]acetamide; propan-1-amine; hydrochloride CAS Name: N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide; 1-propanamine; hydrochloride IUPAC Name: N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide; propan-1-amine; hydrochloride Traditional Name: N-[5-(methanesulfonamido)-2-nitro-4-phenoxy-phenyl]acetamide; propylamine; hydrochloride Formula: C18H25ClN4O6S MolecularWeight: 460.9323

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Descriptors Computed from Structure

Canonical SMILES:

CCCN.CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])OC2=CC=CC=C2)NS(=O)(=O)C.Cl

Isomeric SMILES

CCCN.CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])OC2=CC=CC=C2)NS(=O)(=O)C.Cl

InChI

InChI=1S/C15H15N3O6S.C3H9N.ClH/c1-10(19)16-12-8-13(17-25(2,22)23)15(9-14(12)18(20)21)24-11-6-4-3-5-7-11;1-2-3-4;/h3-9,17H,1-2H3,(H,16,19);2-4H2,1H3;1H