(2S)-1-(4-phenylpiperazin-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: (2S)-1-(4-phenyl-1-piperazinyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-1-(4-phenylpiperazino)-2-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H28N4O3S2/c1-18(21(26)24-11-9-23(10-12-24)19-6-3-2-4-7-19)22-13-15-25(16-14-22)30(27,28)20-8-5-17-29-20/h2-8,17-18H,9-16H2,1H3/t18-/m0/s1