4-(azepan-1-ylsulfonyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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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)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S2/c27-21(23-22-25-24-20(30-22)16-17-8-4-3-5-9-17)18-10-12-19(13-11-18)31(28,29)26-14-6-1-2-7-15-26/h3-5,8-13H,1-2,6-7,14-16H2,(H,23,25,27)