(Z)-6-[3-[(N'-cyclopentyl-N-methylsulfonyl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (Z)-6-[3-[(N'-cyclopentyl-N-methylsulfonyl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N'-cyclopentyl-N-methylsulfonyl-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[cyclopentylimino(methanesulfonamido)methyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N'-cyclopentyl-N-methylsulfonylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(N'-cyclopentyl-N-mesyl-amidino)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=NC1CCCC1)NC2=CC=CC(=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)NC(=NC1CCCC1)NC2=CC=CC(=C2)/C(=C/CCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C24H30N4O4S/c1-33(31,32)28-24(26-20-10-2-3-11-20)27-21-12-6-8-18(16-21)22(13-4-5-14-23(29)30)19-9-7-15-25-17-19/h6-9,12-13,15-17,20H,2-5,10-11,14H2,1H3,(H,29,30)(H2,26,27,28)/b22-13-