4-(phenylmethyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-benzylsulfonyl-N-(6-isopropyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(phenylmethyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-benzylsulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-isopropyl-1,3-benzothiazol-2-yl)butyramide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S2/c1-15(2)17-10-11-18-19(13-17)27-21(22-18)23-20(24)9-6-12-28(25,26)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12,14H2,1-2H3,(H,22,23,24)