4-methoxy-3-nitro-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzenesulfonamide

Systemtic Name: 4-methoxy-3-nitro-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzenesulfonamide Openeye Name: 4-methoxy-3-nitro-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzenesulfonamide CAS Name: 4-methoxy-3-nitro-N-[3-(1-pyrrolidinyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-nitro-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzenesulfonamide Traditional Name: 4-methoxy-3-nitro-N-(3-pyrrolidinoquinoxalin-2-yl)benzenesulfonamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c1-29-17-9-8-13(12-16(17)24(25)26)30(27,28)22-18-19(23-10-4-5-11-23)21-15-7-3-2-6-14(15)20-18/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,20,22)