3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide

Systemtic Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide Openeye Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: 3-[(4-ethylsulfonyl-1-piperazinyl)methyl]-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: 3-[(4-esylpiperazino)methyl]-N-(3-imidazol-1-ylpropyl)benzamide Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C20H29N5O3S/c1-2-29(27,28)25-13-11-23(12-14-25)16-18-5-3-6-19(15-18)20(26)22-7-4-9-24-10-8-21-17-24/h3,5-6,8,10,15,17H,2,4,7,9,11-14,16H2,1H3,(H,22,26)