4-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC(C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC(C)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-11(2)20-28(24,25)14-5-6-15(16(9-14)21(22)23)19-12(3)13-4-7-17-18(8-13)27-10-26-17/h4-9,11-12,19-20H,10H2,1-3H3