4-[4-[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(E)-3-(5-chloro-2-thienyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(E)-3-(5-chloro-2-thiophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(E)-3-(5-chloro-2-thienyl)acryloyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C17H19ClN4O4S2 MolecularWeight: 442.94016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(S3)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(S3)Cl

InChI

InChI=1S/C17H19ClN4O4S2/c1-20-11-13(10-14(20)17(19)24)28(25,26)22-8-6-21(7-9-22)16(23)5-3-12-2-4-15(18)27-12/h2-5,10-11H,6-9H2,1H3,(H2,19,24)/b5-3+