N-(3-methoxypropyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(3-methoxypropyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(3-methoxypropyl)acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-(3-methoxypropyl)acetamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-27-12-6-11-19-18(22)14-20(15-7-5-8-16(13-15)21(23)24)28(25,26)17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,19,22)