N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]-4-pyridin-3-yl-butanamide

Systemtic Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]-4-pyridin-3-yl-butanamide Openeye Name: 2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-4-(3-pyridyl)butanamide CAS Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-2-[(phenylmethyl)sulfonylamino]-4-(3-pyridinyl)butanamide IUPAC Name: 2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-pyridin-3-ylbutanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-2-(benzylsulfonylamino)-4-(3-pyridyl)butyramide Formula: C26H30N6O4S MolecularWeight: 522.6192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC(CCC2=CN=CC=C2)C(=O)NCC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC(CCC2=CN=CC=C2)C(=O)NCC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

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