N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-[(4-nitrophenyl)sulfonylamino]propanamide

Systemtic Name: N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-3-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-3-(nosylamino)propionamide Formula: C14H17N5O6S3 MolecularWeight: 447.50968

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COCCSC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O6S3/c1-25-8-9-26-14-18-17-13(27-14)16-12(20)6-7-15-28(23,24)11-4-2-10(3-5-11)19(21)22/h2-5,15H,6-9H2,1H3,(H,16,17,20)