N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-ethyl]-5-methyl-thiophene-2-carboxamide CAS Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide Traditional Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-keto-ethyl]-5-methyl-thiophene-2-carboxamide Formula: C19H22FN3O4S2 MolecularWeight: 439.524083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3O4S2/c1-14-3-8-17(28-14)19(25)21-13-18(24)22-9-2-10-23(12-11-22)29(26,27)16-6-4-15(20)5-7-16/h3-8H,2,9-13H2,1H3,(H,21,25)