1-[3-[(4-ethylphenyl)sulfonylamino]-2-oxidanyl-2,3-dihydro-1H-inden-5-yl]-3-isocyano-2-(phenylmethyl)guanidine

Systemtic Name: 1-[3-[(4-ethylphenyl)sulfonylamino]-2-oxidanyl-2,3-dihydro-1H-inden-5-yl]-3-isocyano-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-indan-5-yl]-3-isocyano-guanidine CAS Name: 1-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]-3-isocyano-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]-3-isocyanoguanidine Traditional Name: 2-benzyl-1-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-indan-5-yl]-3-isocyano-guanidine Formula: C26H27N5O3S MolecularWeight: 489.58928

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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(=NCC4=CC=CC=C4)N[N+]#[C-])O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(CC3=C2C=C(C=C3)NC(=NCC4=CC=CC=C4)N[N+]#[C-])O

InChI

InChI=1S/C26H27N5O3S/c1-3-18-9-13-22(14-10-18)35(33,34)31-25-23-16-21(12-11-20(23)15-24(25)32)29-26(30-27-2)28-17-19-7-5-4-6-8-19/h4-14,16,24-25,31-32H,3,15,17H2,1H3,(H2,28,29,30)