1-benzothiophen-2-yl-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-[2-methoxy-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1-piperazinyl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]piperazin-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-[5-(4-benzylpiperidino)sulfonyl-2-methoxy-phenyl]piperazino]methanone Formula: C32H35N3O4S2 MolecularWeight: 589.768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC6=CC=CC=C6S5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C32H35N3O4S2/c1-39-29-12-11-27(41(37,38)35-15-13-25(14-16-35)21-24-7-3-2-4-8-24)23-28(29)33-17-19-34(20-18-33)32(36)31-22-26-9-5-6-10-30(26)40-31/h2-12,22-23,25H,13-21H2,1H3