N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chloro-1-benzothiophen-2-yl)-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chlorobenzothiophen-2-yl)acryloyl]isonipecotamide Formula: C24H21ClN2O4S MolecularWeight: 468.95254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C24H21ClN2O4S/c25-23-17-3-1-2-4-20(17)32-21(23)7-8-22(28)27-11-9-15(10-12-27)24(29)26-16-5-6-18-19(13-16)31-14-30-18/h1-8,13,15H,9-12,14H2,(H,26,29)/b8-7+