N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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