N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]-4-pyridin-2-yl-butanamide

Systemtic Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]-4-pyridin-2-yl-butanamide Openeye Name: 2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-4-(2-pyridyl)butanamide CAS Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-2-[(phenylmethyl)sulfonylamino]-4-(2-pyridinyl)butanamide IUPAC Name: 2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-pyridin-2-ylbutanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-2-(benzylsulfonylamino)-4-(2-pyridyl)butyramide Formula: C26H30N6O4S MolecularWeight: 522.6192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC(CCC2=CC=CC=N2)C(=O)NCC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC(CCC2=CC=CC=N2)C(=O)NCC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H30N6O4S/c27-25(28)21-11-9-19(10-12-21)16-30-24(33)17-31-26(34)23(14-13-22-8-4-5-15-29-22)32-37(35,36)18-20-6-2-1-3-7-20/h1-12,15,23,32H,13-14,16-18H2,(H3,27,28)(H,30,33)(H,31,34)