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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)N(CC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)N(CC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C25H36N6O3S.ClH/c26-24(27)30-15-7-8-19(17-30)18-31(25(32)28-22-11-3-1-2-4-12-22)29-35(33,34)23-14-13-20-9-5-6-10-21(20)16-23;/h5-6,9-10,13-14,16,19,22,29H,1-4,7-8,11-12,15,17-18H2,(H3,26,27)(H,28,32);1H