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

Systemtic Name: 5-[(2-methyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: 5-[(2-methyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline CAS Name: 5-[(2-methyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 5-[(2-methyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline Traditional Name: 5-[(2-methyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2N1)S(=O)(=O)C3=CC=CC4=C3CCNC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC(=C(C=C2N1)S(=O)(=O)C3=CC=CC4=C3CCNC4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-10-19-13-7-15(21(22)23)17(8-14(13)20-10)26(24,25)16-4-2-3-11-9-18-6-5-12(11)16/h2-4,7-8,18H,5-6,9H2,1H3,(H,19,20)