4-(azepan-1-ylsulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4

InChI

InChI=1S/C18H22N4O3S2/c23-16(19-18-21-20-17(26-18)14-5-6-14)13-7-9-15(10-8-13)27(24,25)22-11-3-1-2-4-12-22/h7-10,14H,1-6,11-12H2,(H,19,21,23)