N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]butanamide CAS Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-benzylsulfonyl-N-[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butyramide Formula: C22H26N2O6S3 MolecularWeight: 510.64664

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O6S3/c1-30-13-12-24-19-11-10-18(32(2,26)27)15-20(19)31-22(24)23-21(25)9-6-14-33(28,29)16-17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14,16H2,1-2H3