3-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide; 4-isocyanato-1,2,3,5,6,7-hexahydro-s-indacene

Systemtic Name: 3-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide; 4-isocyanato-1,2,3,5,6,7-hexahydro-s-indacene Openeye Name: 3-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide; 4-isocyanato-1,2,3,5,6,7-hexahydro-s-indacene CAS Name: 3-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide; 4-isocyanato-1,2,3,5,6,7-hexahydro-s-indacene IUPAC Name: 3-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide; 4-isocyanato-1,2,3,5,6,7-hexahydro-s-indacene Traditional Name: 3-(2-imidazolin-2-yl)benzenesulfonamide; 4-isocyanato-1,2,3,5,6,7-hexahydro-s-indacene Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC3=C(CCC3)C(=C2C1)N=C=O.C1CN=C(N1)C2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

C1CC2=CC3=C(CCC3)C(=C2C1)N=C=O.C1CN=C(N1)C2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C13H13NO.C9H11N3O2S/c15-8-14-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13;10-15(13,14)8-3-1-2-7(6-8)9-11-4-5-12-9/h7H,1-6H2;1-3,6H,4-5H2,(H,11,12)(H2,10,13,14)