N-(6-acetamido-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20N4O4S2/c1-13(25)21-15-6-9-17-18(12-15)29-20(22-17)23-19(26)14-4-7-16(8-5-14)30(27,28)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3,(H,21,25)(H,22,23,26)