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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[2-(4-methyl-1-piperazinyl)ethyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazino)ethyl]benzamide Formula: C20H31ClN4O3S MolecularWeight: 443.00314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31ClN4O3S/c1-23-12-14-24(15-13-23)11-8-22-20(26)18-16-17(6-7-19(18)21)29(27,28)25-9-4-2-3-5-10-25/h6-7,16H,2-5,8-15H2,1H3,(H,22,26)