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

Systemtic Name: 4-[4-[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C20H23ClN4O4S MolecularWeight: 450.93902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)Cl

InChI

InChI=1S/C20H23ClN4O4S/c1-14-3-4-15(11-17(14)21)5-6-19(26)24-7-9-25(10-8-24)30(28,29)16-12-18(20(22)27)23(2)13-16/h3-6,11-13H,7-10H2,1-2H3,(H2,22,27)/b6-5+