2-cyclopropyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole

Systemtic Name: 2-cyclopropyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-cyclopropyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-cyclopropyl-5-[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-cyclopropyl-5-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-cyclopropyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)C4CC4

InChI

InChI=1S/C17H20N4O4S2/c1-11-2-5-14(21(22)23)10-15(11)27(24,25)20-8-6-13(7-9-20)17-19-18-16(26-17)12-3-4-12/h2,5,10,12-13H,3-4,6-9H2,1H3