N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]thiadiazole-5-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-5-thiadiazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiadiazole-5-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]thiadiazole-5-carboxamide Formula: C19H25N5O4S2 MolecularWeight: 451.5629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CN=NS4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CN=NS4

InChI

InChI=1S/C19H25N5O4S2/c25-19(18-14-20-22-29-18)21-16-13-15(30(26,27)24-9-11-28-12-10-24)5-6-17(16)23-7-3-1-2-4-8-23/h5-6,13-14H,1-4,7-12H2,(H,21,25)