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

Systemtic Name: butan-1-amine; N-[2-nitro-4-phenoxy-5-(sulfamoylmethyl)phenyl]ethanamide; hydrochloride Openeye Name: butan-1-amine; N-[2-nitro-4-phenoxy-5-(sulfamoylmethyl)phenyl]acetamide; hydrochloride CAS Name: 1-butanamine; N-[2-nitro-4-phenoxy-5-(sulfamoylmethyl)phenyl]acetamide; hydrochloride IUPAC Name: butan-1-amine; N-[2-nitro-4-phenoxy-5-(sulfamoylmethyl)phenyl]acetamide; hydrochloride Traditional Name: butylamine; N-[2-nitro-4-phenoxy-5-(sulfamoylmethyl)phenyl]acetamide; hydrochloride Formula: C19H27ClN4O6S MolecularWeight: 474.95888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6S.C4H11N.ClH/c1-10(19)17-13-7-11(9-25(16,22)23)15(8-14(13)18(20)21)24-12-5-3-2-4-6-12;1-2-3-4-5;/h2-8H,9H2,1H3,(H,17,19)(H2,16,22,23);2-5H2,1H3;1H