N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-besyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C25H23ClN2O3S2 MolecularWeight: 499.04472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H23ClN2O3S2/c1-18-21(26)14-15-22-24(18)27-25(32-22)28(17-19-9-4-2-5-10-19)23(29)13-8-16-33(30,31)20-11-6-3-7-12-20/h2-7,9-12,14-15H,8,13,16-17H2,1H3