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

Systemtic Name: 1-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-cyclohexyl-3-methyl-1-(naphthalen-2-ylsulfonylamino)urea hydrochloride Openeye Name: 1-[(1-carbamimidoyl-4-piperidyl)methyl]-3-cyclohexyl-3-methyl-1-(2-naphthylsulfonylamino)urea hydrochloride CAS Name: 1-[(1-carbamimidoyl-4-piperidinyl)methyl]-3-cyclohexyl-3-methyl-1-(2-naphthalenylsulfonylamino)urea hydrochloride IUPAC Name: 1-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-cyclohexyl-3-methyl-1-(naphthalen-2-ylsulfonylamino)urea hydrochloride Traditional Name: 1-[(1-amidino-4-piperidyl)methyl]-3-cyclohexyl-3-methyl-1-(2-naphthylsulfonylamino)urea hydrochloride Formula: C25H37ClN6O3S MolecularWeight: 537.11768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)N(CC2CCN(CC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

CN(C1CCCCC1)C(=O)N(CC2CCN(CC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C25H36N6O3S.ClH/c1-29(22-9-3-2-4-10-22)25(32)31(18-19-13-15-30(16-14-19)24(26)27)28-35(33,34)23-12-11-20-7-5-6-8-21(20)17-23;/h5-8,11-12,17,19,22,28H,2-4,9-10,13-16,18H2,1H3,(H3,26,27);1H