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

Systemtic Name: 2-(cyclopentylmethyl)-5-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-(cyclopentylmethyl)-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(cyclopentylmethyl)-5-[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(cyclopentylmethyl)-5-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-(cyclopentylmethyl)-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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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)CC4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)CC4CCCC4

InChI

InChI=1S/C20H26N4O4S2/c1-14-6-7-17(24(25)26)13-18(14)30(27,28)23-10-8-16(9-11-23)20-22-21-19(29-20)12-15-4-2-3-5-15/h6-7,13,15-16H,2-5,8-12H2,1H3