methyl 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoate

Systemtic Name: methyl 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoate Openeye Name: methyl 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoate CAS Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(1-imidazolylmethyl)-1-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propanoate Traditional Name: 3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)indol-1-yl]propionic acid methyl ester Formula: C22H21FN4O4S MolecularWeight: 456.489943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=C(C2=C1C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)CN4C=CN=C4

Isomeric SMILES

COC(=O)CCN1C=C(C2=C1C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)CN4C=CN=C4

InChI

InChI=1S/C22H21FN4O4S/c1-31-22(28)8-10-27-14-16(13-26-11-9-24-15-26)20-12-18(4-7-21(20)27)25-32(29,30)19-5-2-17(23)3-6-19/h2-7,9,11-12,14-15,25H,8,10,13H2,1H3