N-(furan-2-ylmethyl)-5-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(furan-2-ylmethyl)-5-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-furylmethyl)-5-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(2-furanylmethyl)-5-[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(furan-2-ylmethyl)-5-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-furfuryl-[5-[[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C19H21N5O5S3 MolecularWeight: 495.59554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5S3/c1-13-4-2-8-23(12-13)32(27,28)15-6-7-17(16(10-15)24(25)26)30-19-22-21-18(31-19)20-11-14-5-3-9-29-14/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,20,21)/t13-/m0/s1