2-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]ethanesulfonic acid

Systemtic Name: 2-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]ethanesulfonic acid Openeye Name: 2-[4-carbamimidoyl-2-[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]ethanesulfonic acid CAS Name: 2-[4-carbamimidoyl-2-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]ethoxy]phenyl]ethanesulfonic acid IUPAC Name: 2-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]ethanesulfonic acid Traditional Name: 2-[4-amidino-2-[2-[[1-(4-pyridyl)isonipecotoyl]amino]ethoxy]phenyl]ethanesulfonic acid Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)CCS(=O)(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)CCS(=O)(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C22H29N5O5S/c23-21(24)18-2-1-16(7-14-33(29,30)31)20(15-18)32-13-10-26-22(28)17-5-11-27(12-6-17)19-3-8-25-9-4-19/h1-4,8-9,15,17H,5-7,10-14H2,(H3,23,24)(H,26,28)(H,29,30,31)