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

Systemtic Name: 2-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]-5-(phenylmethyl)-1,3,4-thiadiazole Openeye Name: 2-benzyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[1-(2-methyl-5-nitrophenyl)sulfonyl-3-piperidinyl]-5-(phenylmethyl)-1,3,4-thiadiazole IUPAC Name: 2-benzyl-5-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-benzyl-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4S2/c1-15-9-10-18(25(26)27)13-19(15)31(28,29)24-11-5-8-17(14-24)21-23-22-20(30-21)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3