N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C20H21N3O3S2/c1-13-8-9-17-18(14(13)2)21-20(27-17)22-19(24)15-6-5-7-16(12-15)28(25,26)23-10-3-4-11-23/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22,24)