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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O4S/c27-21(17-24-13-15-25(16-14-24)22(28)18-5-6-18)23-19-7-9-20(10-8-19)31(29,30)26-11-3-1-2-4-12-26/h7-10,18H,1-6,11-17H2,(H,23,27)/p+1