2-nitro-4-(phenylmethyl)sulfonyl-quinolin-3-amine

Systemtic Name: 2-nitro-4-(phenylmethyl)sulfonyl-quinolin-3-amine Openeye Name: 4-benzylsulfonyl-2-nitro-quinolin-3-amine CAS Name: 2-nitro-4-(phenylmethyl)sulfonyl-3-quinolinamine IUPAC Name: 4-benzylsulfonyl-2-nitroquinolin-3-amine Traditional Name: (4-benzylsulfonyl-2-nitro-3-quinolyl)amine Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

InChI

InChI=1S/C16H13N3O4S/c17-14-15(24(22,23)10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-16(14)19(20)21/h1-9H,10,17H2