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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C23H31ClN5O3S+ MolecularWeight: 493.04194

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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)C4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H30ClN5O3S/c24-20-9-8-19(33(31,32)29-11-5-1-2-6-12-29)17-21(20)26-23(30)18-27-13-15-28(16-14-27)22-7-3-4-10-25-22/h3-4,7-10,17H,1-2,5-6,11-16,18H2,(H,26,30)/p+1