(2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-(4-benzylsulfonylpiperazino)-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c1-17-22(20-10-6-7-11-21(20)24-17)23(27)18(2)25-12-14-26(15-13-25)30(28,29)16-19-8-4-3-5-9-19/h3-11,18,24H,12-16H2,1-2H3/t18-/m0/s1