N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-4-piperidinosulfonyl-benzamide Formula: C30H37N5O3S MolecularWeight: 547.71148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CN=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CN=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H37N5O3S/c36-30(26-11-13-28(14-12-26)39(37,38)35-16-5-2-6-17-35)32-23-29(27-10-7-15-31-22-27)34-20-18-33(19-21-34)24-25-8-3-1-4-9-25/h1,3-4,7-15,22,29H,2,5-6,16-21,23-24H2,(H,32,36)