3-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboximidamide hydrochloride

Systemtic Name: 3-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboximidamide hydrochloride Openeye Name: 3-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]piperidine-1-carboxamidine hydrochloride CAS Name: 3-[[[1-azepanyl(oxo)methyl]-(2-naphthalenylsulfonylamino)amino]methyl]-1-piperidinecarboximidamide hydrochloride IUPAC Name: 3-[[azepane-1-carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidine-1-carboximidamide hydrochloride Traditional Name: 3-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]piperidine-1-carboxamidine hydrochloride Formula: C24H35ClN6O3S MolecularWeight: 523.0911

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C24H34N6O3S.ClH/c25-23(26)29-15-7-8-19(17-29)18-30(24(31)28-13-5-1-2-6-14-28)27-34(32,33)22-12-11-20-9-3-4-10-21(20)16-22;/h3-4,9-12,16,19,27H,1-2,5-8,13-15,17-18H2,(H3,25,26);1H