N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H34N4O4S/c1-3-33-23-11-10-21(18-24(23)34(31,32)29-12-6-7-13-29)26-25(30)19-27-14-16-28(17-15-27)22-9-5-4-8-20(22)2/h4-5,8-11,18H,3,6-7,12-17,19H2,1-2H3,(H,26,30)/p+1