4-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-nitro-N-phenyl-benzenesulfonamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C=CCC2CN1C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN2C=CCC2CN1C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c24-23(25)19-13-17(28(26,27)20-15-5-2-1-3-6-15)8-9-18(19)22-12-11-21-10-4-7-16(21)14-22/h1-6,8-10,13,16,20H,7,11-12,14H2