N-cycloheptyl-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-cycloheptyl-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-cycloheptyl-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-cycloheptyl-4-methoxy-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-cycloheptyl-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-cycloheptyl-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-benzamide Formula: C24H33N4O4S+ MolecularWeight: 473.60822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCCCCC2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CCCCCC2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H32N4O4S/c1-32-21-12-11-19(24(29)26-20-8-4-2-3-5-9-20)18-22(21)33(30,31)28-16-14-27(15-17-28)23-10-6-7-13-25-23/h6-7,10-13,18,20H,2-5,8-9,14-17H2,1H3,(H,26,29)/p+1