N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[[2-[(4-ethyl-1-piperazinyl)methyl]phenyl]methyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(4-ethylpiperazino)methyl]benzyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H38N4O3S/c1-3-29-15-17-30(18-16-29)21-25-10-6-5-9-24(25)20-28-27(32)23-12-11-22(2)26(19-23)35(33,34)31-13-7-4-8-14-31/h5-6,9-12,19H,3-4,7-8,13-18,20-21H2,1-2H3,(H,28,32)