N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methyl-5-pyrrolidinosulfonyl-benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C

InChI

InChI=1S/C21H22N4O4S2/c1-13-5-7-16(31(28,29)25-9-3-4-10-25)12-17(13)20(27)24-21-23-18-8-6-15(22-14(2)26)11-19(18)30-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,24,27)