2-[(2-tert-butylphenyl)amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2-tert-butylphenyl)amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-tert-butylanilino)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2-tert-butylanilino)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-tert-butylanilino)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(2-tert-butylanilino)ethanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-22(2,3)19-11-7-8-12-20(19)23-17-21(26)24-13-15-25(16-14-24)29(27,28)18-9-5-4-6-10-18/h4-12,23H,13-17H2,1-3H3