2-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxidanylidene-5-piperidin-1-yl-pentyl]-1-ethyl-guanidine hydrochloride

Systemtic Name: 2-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxidanylidene-5-piperidin-1-yl-pentyl]-1-ethyl-guanidine hydrochloride Openeye Name: 2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-5-oxo-5-(1-piperidyl)pentyl]-1-ethyl-guanidine hydrochloride CAS Name: 2-[4-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-5-oxo-5-(1-piperidinyl)pentyl]-1-ethylguanidine hydrochloride IUPAC Name: 2-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxo-5-piperidin-1-ylpentyl]-1-ethylguanidine hydrochloride Traditional Name: 1-ethyl-2-[5-keto-4-(naphthionylamino)-5-piperidino-pentyl]guanidine hydrochloride Formula: C25H39ClN6O3S MolecularWeight: 539.13356

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCCCC(C(=O)N1CCCCC1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)N.Cl

Isomeric SMILES

CCNC(=NCCCC(C(=O)N1CCCCC1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)N.Cl

InChI

InChI=1S/C25H38N6O3S.ClH/c1-4-27-25(26)28-16-10-13-21(24(32)31-17-6-5-7-18-31)29-35(33,34)23-15-9-11-19-20(23)12-8-14-22(19)30(2)3;/h8-9,11-12,14-15,21,29H,4-7,10,13,16-18H2,1-3H3,(H3,26,27,28);1H