(2R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide CAS Name: (2R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(benzenesulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-besyl-pyrrolidine-2-carboxamide 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)C3CCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O4S2/c1-13(25)21-14-9-10-16-18(12-14)29-20(22-16)23-19(26)17-8-5-11-24(17)30(27,28)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H,21,25)(H,22,23,26)/t17-/m1/s1