N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)butanamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-furfuryl)butyramide Formula: C23H21ClN2O4S2 MolecularWeight: 489.00684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C23H21ClN2O4S2/c24-19-10-4-11-20-22(19)25-23(31-20)26(15-18-9-5-13-30-18)21(27)12-6-14-32(28,29)16-17-7-2-1-3-8-17/h1-5,7-11,13H,6,12,14-16H2