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

Systemtic Name: (Z)-6-[3-[(N'-tert-butyl-N-methylsulfonyl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N'-tert-butyl-N-methylsulfonyl-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[tert-butylimino(methanesulfonamido)methyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N'-tert-butyl-N-methylsulfonylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(N'-tert-butyl-N-mesyl-amidino)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC1=CC=CC(=C1)C(=CCCCC(=O)O)C2=CN=CC=C2)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)N=C(NC1=CC=CC(=C1)/C(=C/CCCC(=O)O)/C2=CN=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C23H30N4O4S/c1-23(2,3)26-22(27-32(4,30)31)25-19-11-7-9-17(15-19)20(12-5-6-13-21(28)29)18-10-8-14-24-16-18/h7-12,14-16H,5-6,13H2,1-4H3,(H,28,29)(H2,25,26,27)/b20-12-