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

Systemtic Name: 4-morpholin-4-ylsulfonyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-4-morpholinosulfonyl-benzamide CAS Name: 4-(4-morpholinylsulfonyl)-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-4-morpholinosulfonyl-benzamide Formula: C29H35N5O4S MolecularWeight: 549.6843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CN=CC=C5

InChI

InChI=1S/C29H35N5O4S/c35-29(25-8-10-27(11-9-25)39(36,37)34-17-19-38-20-18-34)31-22-28(26-7-4-12-30-21-26)33-15-13-32(14-16-33)23-24-5-2-1-3-6-24/h1-12,21,28H,13-20,22-23H2,(H,31,35)