1-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-cyclopentyl-1-(naphthalen-2-ylsulfonylamino)urea hydrochloride

Systemtic Name: 1-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-cyclopentyl-1-(naphthalen-2-ylsulfonylamino)urea hydrochloride Openeye Name: 1-[(1-carbamimidoyl-4-piperidyl)methyl]-3-cyclopentyl-1-(2-naphthylsulfonylamino)urea hydrochloride CAS Name: 1-[(1-carbamimidoyl-4-piperidinyl)methyl]-3-cyclopentyl-1-(2-naphthalenylsulfonylamino)urea hydrochloride IUPAC Name: 1-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-cyclopentyl-1-(naphthalen-2-ylsulfonylamino)urea hydrochloride Traditional Name: 1-[(1-amidino-4-piperidyl)methyl]-3-cyclopentyl-1-(2-naphthylsulfonylamino)urea hydrochloride Formula: C23H33ClN6O3S MolecularWeight: 509.06452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)N(CC2CCN(CC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

C1CCC(C1)NC(=O)N(CC2CCN(CC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C23H32N6O3S.ClH/c24-22(25)28-13-11-17(12-14-28)16-29(23(30)26-20-7-3-4-8-20)27-33(31,32)21-10-9-18-5-1-2-6-19(18)15-21;/h1-2,5-6,9-10,15,17,20,27H,3-4,7-8,11-14,16H2,(H3,24,25)(H,26,30);1H