5-(azepan-1-ylsulfonyl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methyl-N-[3-(4-methyl-1-piperazinyl)propyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[3-(4-methylpiperazino)propyl]benzamide Formula: C22H36N4O3S MolecularWeight: 436.61124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCCN3CCN(CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCCN3CCN(CC3)C

InChI

InChI=1S/C22H36N4O3S/c1-19-8-9-20(30(28,29)26-12-5-3-4-6-13-26)18-21(19)22(27)23-10-7-11-25-16-14-24(2)15-17-25/h8-9,18H,3-7,10-17H2,1-2H3,(H,23,27)