4-[4-[(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(E)-3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)acryloyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

InChI

InChI=1S/C25H29N5O4S/c1-18-15-20(19(2)30(18)21-7-5-4-6-8-21)9-10-24(31)28-11-13-29(14-12-28)35(33,34)22-16-23(25(26)32)27(3)17-22/h4-10,15-17H,11-14H2,1-3H3,(H2,26,32)/b10-9+