(E)-N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-diethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)acrylamide Formula: C23H26N4O5S2 MolecularWeight: 502.60634

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O5S2/c1-4-25(5-2)14-15-26(21(28)13-12-17-8-6-9-18(16-17)27(29)30)23-24-22-19(33-23)10-7-11-20(22)34(3,31)32/h6-13,16H,4-5,14-15H2,1-3H3/b13-12+