N-[2-[(4-nitrophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[(4-nitrophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[(4-nitrophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[(4-nitrophenyl)methylamino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[(4-nitrophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[(4-nitrobenzyl)amino]ethyl]isoquinoline-5-sulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c23-22(24)16-6-4-14(5-7-16)12-20-10-11-21-27(25,26)18-3-1-2-15-13-19-9-8-17(15)18/h1-9,13,20-21H,10-12H2