N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-furfuryl)propionamide Formula: C22H19ClN2O4S2 MolecularWeight: 474.98026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN2O4S2/c23-17-8-9-19-20(13-17)30-22(24-19)25(14-18-7-4-11-29-18)21(26)10-12-31(27,28)15-16-5-2-1-3-6-16/h1-9,11,13H,10,12,14-15H2