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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[3-(4-methyl-1-piperazinyl)propyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(4-methylpiperazino)propyl]benzamide Formula: C21H33ClN4O3S MolecularWeight: 457.02972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33ClN4O3S/c1-24-13-15-25(16-14-24)10-6-9-23-21(27)19-17-18(7-8-20(19)22)30(28,29)26-11-4-2-3-5-12-26/h7-8,17H,2-6,9-16H2,1H3,(H,23,27)