N-butyl-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-butyl-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-butyl-acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-butylacetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-butylacetamide Traditional Name: 2-(N-besyl-4-nitro-anilino)-N-butyl-acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN(C1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)CN(C1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O5S/c1-2-3-13-19-18(22)14-20(15-9-11-16(12-10-15)21(23)24)27(25,26)17-7-5-4-6-8-17/h4-12H,2-3,13-14H2,1H3,(H,19,22)