tert-butyl 3-carbamimidoyl-4-[4-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonyl]piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: tert-butyl 3-carbamimidoyl-4-[4-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonyl]piperazin-1-yl]sulfonyl-benzoate Openeye Name: tert-butyl 3-carbamimidoyl-4-[4-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazin-1-yl]sulfonyl-benzoate CAS Name: 3-carbamimidoyl-4-[[4-[(4-methyl-2-pyridin-4-yl-5-thiazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-carbamimidoyl-4-[4-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-amidino-4-[4-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazino]sulfonyl-benzoic acid tert-butyl ester Formula: C26H30N6O5S2 MolecularWeight: 570.6836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)C(=O)OC(C)(C)C)C(=N)N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)C(=O)OC(C)(C)C)C(=N)N

InChI

InChI=1S/C26H30N6O5S2/c1-16-21(38-23(30-16)17-7-9-29-10-8-17)24(33)31-11-13-32(14-12-31)39(35,36)20-6-5-18(15-19(20)22(27)28)25(34)37-26(2,3)4/h5-10,15H,11-14H2,1-4H3,(H3,27,28)