phenyl N-[3-[(4-ethylphenyl)sulfonylamino]-2-oxidanyl-2,3-dihydro-1H-inden-5-yl]-N'-isocyano-carbamimidate

Systemtic Name: phenyl N-[3-[(4-ethylphenyl)sulfonylamino]-2-oxidanyl-2,3-dihydro-1H-inden-5-yl]-N'-isocyano-carbamimidate Openeye Name: 1-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-indan-5-yl]-3-isocyano-2-phenyl-isourea CAS Name: N-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]-N'-isocyanocarbamimidic acid phenyl ester IUPAC Name: phenyl N-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]-N'-isocyanocarbamimidate Traditional Name: 1-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-indan-5-yl]-3-isocyano-2-phenyl-isourea Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(CC3=C2C=C(C=C3)NC(=N[N+]#[C-])OC4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(CC3=C2C=C(C=C3)N/C(=N/[N+]#[C-])/OC4=CC=CC=C4)O

InChI

InChI=1S/C25H24N4O4S/c1-3-17-9-13-21(14-10-17)34(31,32)29-24-22-16-19(12-11-18(22)15-23(24)30)27-25(28-26-2)33-20-7-5-4-6-8-20/h4-14,16,23-24,29-30H,3,15H2,1H3,(H,27,28)