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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[3-(4-methyl-1-piperazinyl)propyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(4-methylpiperazino)propyl]benzamide Formula: C22H36N4O4S MolecularWeight: 452.61064

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H36N4O4S/c1-24-14-16-25(17-15-24)11-7-10-23-22(27)20-18-19(8-9-21(20)30-2)31(28,29)26-12-5-3-4-6-13-26/h8-9,18H,3-7,10-17H2,1-2H3,(H,23,27)