(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-[(E)-styryl]sulfonylpiperazin-1-yl]methanone CAS Name: (2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-[(E)-styryl]sulfonylpiperazino]methanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-17(2)25-18(3)16-21(19(25)4)22(26)23-11-13-24(14-12-23)29(27,28)15-10-20-8-6-5-7-9-20/h5-10,15-17H,11-14H2,1-4H3/b15-10+