[[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-phenyl-ethyl]amino] benzoate

Systemtic Name: [[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-phenyl-ethyl]amino] benzoate Openeye Name: [[2-(benzothiophen-5-ylmethylsulfonyl)-1-phenyl-ethyl]amino] benzoate CAS Name: benzoic acid [[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-phenylethyl]amino] ester IUPAC Name: [[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-phenylethyl]amino] benzoate Traditional Name: benzoic acid [[2-(benzothiophen-5-ylmethylsulfonyl)-1-phenyl-ethyl]amino] ester Formula: C24H21NO4S2 MolecularWeight: 451.55784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CS(=O)(=O)CC2=CC3=C(C=C2)SC=C3)NOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CS(=O)(=O)CC2=CC3=C(C=C2)SC=C3)NOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21NO4S2/c26-24(20-9-5-2-6-10-20)29-25-22(19-7-3-1-4-8-19)17-31(27,28)16-18-11-12-23-21(15-18)13-14-30-23/h1-15,22,25H,16-17H2