(3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]chromane-3-carboxamide CAS Name: (3R)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]chroman-3-carboxamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4CC5=CC=CC=C5OC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)[C@@H]4CC5=CC=CC=C5OC4

InChI

InChI=1S/C26H34N4O4S/c1-28-13-15-29(16-14-28)24-10-9-22(35(32,33)30-11-5-2-6-12-30)18-23(24)27-26(31)21-17-20-7-3-4-8-25(20)34-19-21/h3-4,7-10,18,21H,2,5-6,11-17,19H2,1H3,(H,27,31)/p+1/t21-/m1/s1