1-[(2R)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)urea

Systemtic Name: 1-[(2R)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)urea Openeye Name: 1-[(1R)-1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-3-(2-naphthylsulfonylamino)urea CAS Name: 1-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-3-(2-naphthalenylsulfonylamino)urea IUPAC Name: 1-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylsulfonylamino)urea Traditional Name: 1-[(1R)-1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-3-(2-naphthylsulfonylamino)urea Formula: C26H30N6O4S MolecularWeight: 522.6192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)NNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)C(=N)N)NC(=O)NNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H30N6O4S/c27-24(28)20-10-8-18(9-11-20)16-23(25(33)32-14-4-1-5-15-32)29-26(34)30-31-37(35,36)22-13-12-19-6-2-3-7-21(19)17-22/h2-3,6-13,17,23,31H,1,4-5,14-16H2,(H3,27,28)(H2,29,30,34)/t23-/m1/s1