2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxamide Openeye Name: 2,5-dimethyl-1-(3-morpholin-4-ium-4-ylpropyl)-N-(p-tolylsulfonyl)pyrrole-3-carboxamide CAS Name: 2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-[3-(4-morpholin-4-iumyl)propyl]-3-pyrrolecarboxamide IUPAC Name: 2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxamide Traditional Name: 2,5-dimethyl-1-(3-morpholin-4-ium-4-ylpropyl)-N-tosyl-pyrrole-3-carboxamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)CCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)CCC[NH+]3CCOCC3)C

InChI

InChI=1S/C21H29N3O4S/c1-16-5-7-19(8-6-16)29(26,27)22-21(25)20-15-17(2)24(18(20)3)10-4-9-23-11-13-28-14-12-23/h5-8,15H,4,9-14H2,1-3H3,(H,22,25)/p+1