3-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]propanoate

Systemtic Name: 3-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]propanoate Openeye Name: 3-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]propanoate IUPAC Name: 3-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]propionate Formula: C18H18NO4S2- MolecularWeight: 376.46982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

InChI

InChI=1S/C18H19NO4S2/c20-18(21)11-8-14-6-9-15(10-7-14)25(22,23)19-12-3-13-24-17-5-2-1-4-16(17)19/h1-2,4-7,9-10H,3,8,11-13H2,(H,20,21)/p-1