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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[3-(4-ethyl-1-piperazinyl)propyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(4-ethylpiperazino)propyl]benzamide Formula: C22H35ClN4O3S MolecularWeight: 471.0563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCN1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H35ClN4O3S/c1-2-25-14-16-26(17-15-25)11-7-10-24-22(28)20-18-19(8-9-21(20)23)31(29,30)27-12-5-3-4-6-13-27/h8-9,18H,2-7,10-17H2,1H3,(H,24,28)