4-[2-(naphthalen-1-ylamino)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(naphthalen-1-ylamino)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(1-naphthylamino)ethylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[2-(1-naphthalenylamino)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(naphthalen-1-ylamino)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(1-naphthylamino)ethylamino]-3-nitro-benzenesulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NCCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NCCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c19-27(25,26)14-8-9-17(18(12-14)22(23)24)21-11-10-20-16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,20-21H,10-11H2,(H2,19,25,26)