tert-butyl 4-(4-pyrazol-1-ylphenyl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-pyrazol-1-ylphenyl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(4-pyrazol-1-ylphenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-[4-(1-pyrazolyl)phenyl]sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-pyrazol-1-ylphenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-pyrazol-1-ylphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H26N4O4S/c1-19(2,3)27-18(24)21-11-5-12-22(15-14-21)28(25,26)17-8-6-16(7-9-17)23-13-4-10-20-23/h4,6-10,13H,5,11-12,14-15H2,1-3H3