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

Systemtic Name: 1-[3-[(4-ethylphenyl)sulfonylamino]-2-oxidanyl-2,3-dihydro-1H-inden-5-yl]-2-isocyano-3-(3-methoxyphenyl)guanidine Openeye Name: 1-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-indan-5-yl]-2-isocyano-3-(3-methoxyphenyl)guanidine CAS Name: 1-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]-2-isocyano-3-(3-methoxyphenyl)guanidine IUPAC Name: 1-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]-2-isocyano-3-(3-methoxyphenyl)guanidine Traditional Name: 1-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-indan-5-yl]-2-isocyano-3-(3-methoxyphenyl)guanidine Formula: C26H27N5O4S MolecularWeight: 505.58868

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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-])NC4=CC(=CC=C4)OC)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(CC3=C2C=C(C=C3)N/C(=N/[N+]#[C-])/NC4=CC(=CC=C4)OC)O

InChI

InChI=1S/C26H27N5O4S/c1-4-17-8-12-22(13-9-17)36(33,34)31-25-23-16-20(11-10-18(23)14-24(25)32)29-26(30-27-2)28-19-6-5-7-21(15-19)35-3/h5-13,15-16,24-25,31-32H,4,14H2,1,3H3,(H2,28,29,30)