(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[(4-phenyl-1-piperazinyl)sulfonyl]ethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazino)sulfonylethyl]acrylamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)CCNC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O5S/c26-22(9-7-18-6-8-20-21(16-18)30-17-29-20)23-10-15-31(27,28)25-13-11-24(12-14-25)19-4-2-1-3-5-19/h1-9,16H,10-15,17H2,(H,23,26)/b9-7+