N-[4-(azocan-1-ylsulfonyl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[4-(azocan-1-ylsulfonyl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[4-(azocan-1-ylsulfonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[4-(1-azocanylsulfonyl)phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[4-(azocan-1-ylsulfonyl)phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[4-(azocan-1-ylsulfonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCCC3

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCCC3

InChI

InChI=1S/C17H22N4O3S2/c1-13-16(25-20-19-13)17(22)18-14-7-9-15(10-8-14)26(23,24)21-11-5-3-2-4-6-12-21/h7-10H,2-6,11-12H2,1H3,(H,18,22)