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

Systemtic Name: 1-cyano-2-(cyclohexylmethyl)-3-[3-[(4-ethylphenyl)sulfonylamino]-2-oxidanyl-2,3-dihydro-1H-inden-5-yl]guanidine Openeye Name: 1-cyano-2-(cyclohexylmethyl)-3-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-indan-5-yl]guanidine CAS Name: 1-cyano-2-(cyclohexylmethyl)-3-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]guanidine IUPAC Name: 1-cyano-2-(cyclohexylmethyl)-3-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]guanidine Traditional Name: 1-cyano-2-(cyclohexylmethyl)-3-[3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-indan-5-yl]guanidine Formula: C26H33N5O3S MolecularWeight: 495.63692

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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(=NCC4CCCCC4)NC#N)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(CC3=C2C=C(C=C3)NC(=NCC4CCCCC4)NC#N)O

InChI

InChI=1S/C26H33N5O3S/c1-2-18-8-12-22(13-9-18)35(33,34)31-25-23-15-21(11-10-20(23)14-24(25)32)30-26(29-17-27)28-16-19-6-4-3-5-7-19/h8-13,15,19,24-25,31-32H,2-7,14,16H2,1H3,(H2,28,29,30)