N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide CAS Name: 3-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-besyl-N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]propionamide Formula: C21H24N2O6S3 MolecularWeight: 496.62006

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O6S3/c1-3-29-13-12-23-18-10-9-17(31(2,25)26)15-19(18)30-21(23)22-20(24)11-14-32(27,28)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3