2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butan-1-ol

Systemtic Name: 2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butan-1-ol Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-anilino)butan-1-ol CAS Name: 2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]-1-butanol IUPAC Name: 2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butan-1-ol Traditional Name: 2-(4-morpholinosulfonyl-2-nitro-anilino)butan-1-ol Formula: C14H21N3O6S MolecularWeight: 359.39804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCC(CO)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O6S/c1-2-11(10-18)15-13-4-3-12(9-14(13)17(19)20)24(21,22)16-5-7-23-8-6-16/h3-4,9,11,15,18H,2,5-8,10H2,1H3