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

Systemtic Name: 5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine Openeye Name: N-isopropyl-5-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-N-propan-2-yl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine Traditional Name: isopropyl-[5-[[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H23N5O4S3 MolecularWeight: 457.59062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O4S3/c1-11(2)18-16-19-20-17(28-16)27-15-7-6-13(9-14(15)22(23)24)29(25,26)21-8-4-5-12(3)10-21/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,18,19)