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

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-benzyl-4-benzylsulfonyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: N-benzyl-4-benzylsulfonyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-benzylsulfonyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C26H25ClN2O3S2 MolecularWeight: 513.0713

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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)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H25ClN2O3S2/c1-19-22(27)14-15-23-25(19)28-26(33-23)29(17-20-9-4-2-5-10-20)24(30)13-8-16-34(31,32)18-21-11-6-3-7-12-21/h2-7,9-12,14-15H,8,13,16-18H2,1H3