N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)butanamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)butyramide Formula: C24H23ClN2O4S2 MolecularWeight: 503.03342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H23ClN2O4S2/c1-17-13-19(25)14-21-23(17)26-24(32-21)27(15-20-9-5-11-31-20)22(28)10-6-12-33(29,30)16-18-7-3-2-4-8-18/h2-5,7-9,11,13-14H,6,10,12,15-16H2,1H3