2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-(4-ethylpiperidin-1-yl)-5-oxidanylidene-pentyl]guanidine

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-(4-ethylpiperidin-1-yl)-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-(4-ethyl-1-piperidyl)-5-oxo-pentyl]guanidine CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-(4-ethyl-1-piperidinyl)-5-oxopentyl]guanidine IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]guanidine Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-5-(4-ethylpiperidino)-5-keto-pentyl]guanidine Formula: C22H35N5O5S MolecularWeight: 481.6088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC1CCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H35N5O5S/c1-2-16-8-11-27(12-9-16)21(28)18(5-3-10-25-22(23)24)26-33(29,30)17-6-7-19-20(15-17)32-14-4-13-31-19/h6-7,15-16,18,26H,2-5,8-14H2,1H3,(H4,23,24,25)