N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(phenoxymethyl)thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(phenoxymethyl)-2-thiazolyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(phenoxymethyl)thiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)COC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)COC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S2/c25-20(16-8-10-19(11-9-16)30(26,27)24-12-4-5-13-24)23-21-22-17(15-29-21)14-28-18-6-2-1-3-7-18/h1-3,6-11,15H,4-5,12-14H2,(H,22,23,25)