1-[4-(phenylmethyl)piperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-benzylpiperidino)-2-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H31N3O3S2/c1-19(24-13-15-26(16-14-24)31(28,29)22-8-5-17-30-22)23(27)25-11-9-21(10-12-25)18-20-6-3-2-4-7-20/h2-8,17,19,21H,9-16,18H2,1H3