N-[4-azanyl-3-(5-methoxy-1,3-benzodioxol-4-yl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-azanyl-3-(5-methoxy-1,3-benzodioxol-4-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-amino-3-(5-methoxy-1,3-benzodioxol-4-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-amino-3-(5-methoxy-1,3-benzodioxol-4-yl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-amino-3-(5-methoxy-1,3-benzodioxol-4-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-amino-3-(5-methoxy-1,3-benzodioxol-4-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)OCO2)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])N

Isomeric SMILES

COC1=C(C2=C(C=C1)OCO2)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])N

InChI

InChI=1S/C20H17N3O7S/c1-28-17-7-8-18-20(30-11-29-18)19(17)15-9-12(5-6-16(15)21)22-31(26,27)14-4-2-3-13(10-14)23(24)25/h2-10,22H,11,21H2,1H3