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

Systemtic Name: N-(2-methoxyethyl)-5-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-methoxyethyl)-5-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methoxyethyl)-5-[[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methoxyethyl)-5-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-methoxyethyl-[5-[[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H23N5O5S3 MolecularWeight: 473.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O5S3/c1-12-5-8-21(9-6-12)30(25,26)13-3-4-15(14(11-13)22(23)24)28-17-20-19-16(29-17)18-7-10-27-2/h3-4,11-12H,5-10H2,1-2H3,(H,18,19)