2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3-morpholinosulfonylphenyl)propanamide CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-N-(3-morpholinosulfonylphenyl)propionamide Formula: C18H26N6O4S2 MolecularWeight: 454.56684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)SC3=NN=NN3C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)SC3=NN=NN3C(C)(C)C

InChI

InChI=1S/C18H26N6O4S2/c1-13(29-17-20-21-22-24(17)18(2,3)4)16(25)19-14-6-5-7-15(12-14)30(26,27)23-8-10-28-11-9-23/h5-7,12-13H,8-11H2,1-4H3,(H,19,25)