N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H32ClN4O4S+ MolecularWeight: 484.03188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H31ClN4O4S/c23-19-8-7-18(32(30,31)27-9-3-1-2-4-10-27)15-20(19)24-21(28)16-25-11-13-26(14-12-25)22(29)17-5-6-17/h7-8,15,17H,1-6,9-14,16H2,(H,24,28)/p+1