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

Systemtic Name: 4-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrrolidinosulfonyl-benzamide Formula: C20H20ClN3O4S2 MolecularWeight: 465.9735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20ClN3O4S2/c1-2-28-14-6-8-16-17(12-14)29-20(22-16)23-19(25)13-5-7-15(21)18(11-13)30(26,27)24-9-3-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,23,25)