ethylamino-(phenylcarbonyl)-[(3-phenylmethoxythiophen-2-yl)methyl]-(phenylsulfonyl)azanium

Systemtic Name: ethylamino-(phenylcarbonyl)-[(3-phenylmethoxythiophen-2-yl)methyl]-(phenylsulfonyl)azanium Openeye Name: benzenesulfonyl-benzoyl-[(3-benzyloxy-2-thienyl)methyl]-(ethylamino)ammonium CAS Name: benzenesulfonyl-benzoyl-(ethylamino)-[(3-phenylmethoxy-2-thiophenyl)methyl]ammonium IUPAC Name: benzenesulfonyl-benzoyl-(ethylamino)-[(3-phenylmethoxythiophen-2-yl)methyl]azanium Traditional Name: (3-benzoxy-2-thienyl)methyl-benzoyl-besyl-(ethylamino)ammonium Formula: C27H27N2O4S2+ MolecularWeight: 507.64428

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Descriptors Computed from Structure

Canonical SMILES:

CCN[N+](CC1=C(C=CS1)OCC2=CC=CC=C2)(C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN[N+](CC1=C(C=CS1)OCC2=CC=CC=C2)(C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N2O4S2/c1-2-28-29(27(30)23-14-8-4-9-15-23,35(31,32)24-16-10-5-11-17-24)20-26-25(18-19-34-26)33-21-22-12-6-3-7-13-22/h3-19,28H,2,20-21H2,1H3/q+1