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

Systemtic Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S2/c27-21(18-11-7-12-19(16-18)31(28,29)26-14-4-5-15-26)23-22-25-24-20(30-22)13-6-10-17-8-2-1-3-9-17/h1-3,7-9,11-12,16H,4-6,10,13-15H2,(H,23,25,27)