3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzamide

Systemtic Name: 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzamide Openeye Name: 3-morpholinosulfonyl-N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzamide CAS Name: 3-(4-morpholinylsulfonyl)-N-phenyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzamide IUPAC Name: 3-morpholin-4-ylsulfonyl-N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzamide Traditional Name: 3-morpholinosulfonyl-N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)benzamide Formula: C26H30N5O4S+ MolecularWeight: 508.6125

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H29N5O4S/c32-26(28-22-6-2-1-3-7-22)21-9-10-23(24(20-21)36(33,34)31-16-18-35-19-17-31)29-12-14-30(15-13-29)25-8-4-5-11-27-25/h1-11,20H,12-19H2,(H,28,32)/p+1