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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O4S2/c1-13-6-5-7-16-18(13)21-20(28-16)22-19(24)14-8-9-15(27-2)17(12-14)29(25,26)23-10-3-4-11-23/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22,24)