4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)S(=O)(=O)NCCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)S(=O)(=O)NCCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O6S/c1-14(15-5-8-19-20(11-15)30-13-29-19)22-17-7-6-16(12-18(17)24(25)26)31(27,28)21-9-4-10-23(2)3/h5-8,11-12,14,21-22H,4,9-10,13H2,1-3H3