N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O4S2/c1-27-16-9-8-14(12-18(16)29(25,26)23-10-4-5-11-23)20(24)21-13-19-22-15-6-2-3-7-17(15)28-19/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,24)