2-[cyclopropyl(furan-2-ylmethyl)amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[cyclopropyl(2-furylmethyl)amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[cyclopropyl(2-furanylmethyl)amino]-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[cyclopropyl(2-furfuryl)amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(CC3=CC=CO3)C4CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(CC3=CC=CO3)C4CC4)C

InChI

InChI=1S/C22H29N3O4S/c1-17-5-8-21(14-18(17)2)30(27,28)25-11-9-23(10-12-25)22(26)16-24(19-6-7-19)15-20-4-3-13-29-20/h3-5,8,13-14,19H,6-7,9-12,15-16H2,1-2H3