(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H25N3O3S2/c1-15-14-17(16(2)23(15)18-6-7-18)5-8-19(24)21-9-11-22(12-10-21)28(25,26)20-4-3-13-27-20/h3-5,8,13-14,18H,6-7,9-12H2,1-2H3/b8-5+