N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-besyl-N-(6-chloro-1,3-benzothiazol-2-yl)butyramide Formula: C24H21ClN2O3S2 MolecularWeight: 485.01814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN2O3S2/c25-19-13-14-21-22(16-19)31-24(26-21)27(17-18-8-3-1-4-9-18)23(28)12-7-15-32(29,30)20-10-5-2-6-11-20/h1-6,8-11,13-14,16H,7,12,15,17H2