tert-butyl 4-[3-aminocarbonyl-4-[[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]carbonylamino]-5-ethyl-pyrazol-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-aminocarbonyl-4-[[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]carbonylamino]-5-ethyl-pyrazol-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-carbamoyl-4-[[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridine-3-carbonyl]amino]-5-ethyl-pyrazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-carbamoyl-4-[[[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-oxomethyl]amino]-5-ethyl-1-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-carbamoyl-4-[[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carbonyl]amino]-5-ethylpyrazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[3-carbamoyl-4-[[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-nicotinoyl]amino]-5-ethyl-pyrazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H46N8O7S MolecularWeight: 662.80064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)N)NC(=O)C3=CC(=CN=C3OCC)S(=O)(=O)N4CCN(CC4)CC

Isomeric SMILES

CCC1=C(C(=NN1C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)N)NC(=O)C3=CC(=CN=C3OCC)S(=O)(=O)N4CCN(CC4)CC

InChI

InChI=1S/C30H46N8O7S/c1-7-23-24(25(26(31)39)34-38(23)20-10-12-36(13-11-20)29(41)45-30(4,5)6)33-27(40)22-18-21(19-32-28(22)44-9-3)46(42,43)37-16-14-35(8-2)15-17-37/h18-20H,7-17H2,1-6H3,(H2,31,39)(H,33,40)