5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: 5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline CAS Name: 5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline Traditional Name: 5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC(=C(C=C2N1)S(=O)(=O)C3=CC=CC4=C3CCNC4)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC2=CC(=C(C=C2N1)S(=O)(=O)C3=CC=CC4=C3CCNC4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-2-18-20-13-8-15(22(23)24)17(9-14(13)21-18)27(25,26)16-5-3-4-11-10-19-7-6-12(11)16/h3-5,8-9,19H,2,6-7,10H2,1H3,(H,20,21)