N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(butylamino)-5-(4-morpholinylsulfonyl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-4-nitro-benzenesulfonamide Formula: C20H26N4O7S2 MolecularWeight: 498.57304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O7S2/c1-2-3-10-21-19-9-8-18(33(29,30)23-11-13-31-14-12-23)15-20(19)22-32(27,28)17-6-4-16(5-7-17)24(25)26/h4-9,15,21-22H,2-3,10-14H2,1H3