N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(4-nitrophenyl)methylsulfonylamino]-4-pyridin-4-yl-butanamide

Systemtic Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(4-nitrophenyl)methylsulfonylamino]-4-pyridin-4-yl-butanamide Openeye Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-2-[(4-nitrophenyl)methylsulfonylamino]-4-(4-pyridyl)butanamide CAS Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-2-[(4-nitrophenyl)methylsulfonylamino]-4-pyridin-4-ylbutanamide IUPAC Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-2-[(4-nitrophenyl)methylsulfonylamino]-4-pyridin-4-ylbutanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-2-[(4-nitrobenzyl)sulfonylamino]-4-(4-pyridyl)butyramide Formula: C26H29N7O6S MolecularWeight: 567.61676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CNC(=O)C(CCC2=CC=NC=C2)NS(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CNC(=O)C(CCC2=CC=NC=C2)NS(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(=N)N

InChI

InChI=1S/C26H29N7O6S/c27-25(28)21-6-1-19(2-7-21)15-30-24(34)16-31-26(35)23(10-5-18-11-13-29-14-12-18)32-40(38,39)17-20-3-8-22(9-4-20)33(36)37/h1-4,6-9,11-14,23,32H,5,10,15-17H2,(H3,27,28)(H,30,34)(H,31,35)