[4-(phenylmethyl)sulfonylpiperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-(phenylmethyl)sulfonylpiperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [4-(phenylmethyl)sulfonyl-1-piperazinyl]-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C21H27N3O5S3 MolecularWeight: 497.65118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N3O5S3/c25-21(19-8-4-10-24(16-19)32(28,29)20-9-5-15-30-20)22-11-13-23(14-12-22)31(26,27)17-18-6-2-1-3-7-18/h1-3,5-7,9,15,19H,4,8,10-14,16-17H2/t19-/m0/s1